<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356179</id>
  <title nil="true"/>
  <common-name>6-[dimethyl-[4-methyl-6-(2,2,6-trimethylcyclohexyl)hexyl]azaniumyl]hexyl-dimethyl-[4-methyl-6-(2,2,6-trimethylcyclohexyl)hexyl]azanium</common-name>
  <description>6-[dimethyl-[4-methyl-6-(2,2,6-trimethylcyclohexyl)hexyl]azaniumyl]hexyl-dimethyl-[4-methyl-6-(2,2,6-trimethylcyclohexyl)hexyl]azanium is a chemical compound with the formula C42H86N2+2. With an average molecular weight of 619.10 g/mol, 6-[dimethyl-[4-methyl-6-(2,2,6-trimethylcyclohexyl)hexyl]azaniumyl]hexyl-dimethyl-[4-methyl-6-(2,2,6-trimethylcyclohexyl)hexyl]azanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>48645</pubchem-id>
  <chemical-formula>C42H86N2+2</chemical-formula>
  <weight>619.1</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-09-01T01:25:49Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:25:49Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1CCCC(C1CCC(C)CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCC(C)CCC2C(CCCC2(C)C)C)(C)C</moldb-smiles>
  <moldb-formula>C42H86N2+2</moldb-formula>
  <moldb-inchi>InChI=1S/C42H86N2/c1-35(25-27-39-37(3)23-17-29-41(39,5)6)21-19-33-43(9,10)31-15-13-14-16-32-44(11,12)34-20-22-36(2)26-28-40-38(4)24-18-30-42(40,7)8/h35-40H,13-34H2,1-12H3/q+2</moldb-inchi>
  <moldb-inchikey>QUQKSMSWCVUUNT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">618.6791008</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>14.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM352072</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>6-[dimethyl-[4-methyl-6-(2,2,6-trimethylcyclohexyl)hexyl]azaniumyl]hexyl-dimethyl-[4-methyl-6-(2,2,6-trimethylcyclohexyl)hexyl]azanium</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Sesquiterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306429</sync-id>
  <structure-inchikey>QUQKSMSWCVUUNT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000020000000000800000000000200000000000000000000000000000000000001000000000000000000000000000000002000000000000000000000000000000000000000000000100000008004000000000000800000000001000100000000000000000018000000000000000000040020000000000000000000000100800000048000000008000000000030000200000000000008000a00000000020000000048004000000000000000000000000000000000000100000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000100200000000010000000000000000004000000000200000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������,���-���€���`�������`�������`�������`�������`������� ������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`�������`�������`�������`�������������������������������	�	
�	������������������������������������������������������������� � !�!"�"#�#$�$%�%&amp;�&amp;'�&amp;(�")��*��+����&amp;!�B������������"#$%&amp;!����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:54:00Z</structure-indexed-at>
</compound>
