<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">309760</id>
  <title nil="true"/>
  <common-name>Diethyl-methyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium</common-name>
  <description>Diethyl-methyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium is a compound with the formula C17H30NO+. It has an average molecular weight of 264.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>59498</pubchem-id>
  <chemical-formula>C17H30NO+</chemical-formula>
  <weight>264.4</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">2026-08-29T04:25:33Z</created-at>
  <updated-at type="dateTime">2026-08-29T04:25:33Z</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>CC[N+](C)(CC)CCOC1=C(C=CC(=C1)C)C(C)C</moldb-smiles>
  <moldb-formula>C17H30NO+</moldb-formula>
  <moldb-inchi>InChI=1S/C17H30NO/c1-7-18(6,8-2)11-12-19-17-13-15(5)9-10-16(17)14(3)4/h9-10,13-14H,7-8,11-12H2,1-6H3/q+1</moldb-inchi>
  <moldb-inchikey>NAODNBGMXRQKRU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">264.2327396</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.5</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>CHEM305653</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>Diethyl-methyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]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>Monoterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0260745</sync-id>
  <structure-inchikey>NAODNBGMXRQKRU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000000000800000000840000000000000000000000000001400000000001002000010000000000000000000000002000000000000000200000000000000000000000000000200000008000000000000000100000000000000000000000000040000000000000000100000000040000000002020008000000004000000000040000000000002100000000000000000000000000000000000000000000000000000000000000000080000000000000000080000000000000002000000000000000000000000000000000000000000000000002000000200000000000000000100000000000040000000000000000000000820000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>500000000122020080000040010820000000040001052000003420408200000c44020050108000000000410800808000042100a5008c32010000643000a04000c4110400020006000090100000620200000005805100193240000622400001000c2004060048820040000000d4340001200080500101e0041118000002110002004000080cd0020808020200082c0008111c0012440014820000080000400080004300001010c00000000848017c251002c00000894108401000021008400210801000a404800012018000000401028000000000020050000d0000000800010010000a1000010000000000030092200000102010804200060000000052000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������ "�������`�������`�������`�������`�������`�������(������@(������@(������@h�������@h�������@(������@h��������`�������`�������`�������`�������������������������������	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:17:20Z</structure-indexed-at>
</compound>
