354885 <common-name>6-[dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azanium</common-name> <description>6-[dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azanium is a chemical compound with the formula C38H78N2+2. With an average molecular weight of 563.00 g/mol, 6-[dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azanium is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>51491</pubchem-id> <chemical-formula>C38H78N2+2</chemical-formula> <weight>563</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">2026-08-31T22:55:42Z</created-at> <updated-at type="dateTime">2026-08-31T22:55:42Z</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>CC1CCC(C(C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(CCC(C2(C)C)C)C)(C)C)C</moldb-smiles> <moldb-formula>C38H78N2+2</moldb-formula> <moldb-inchi>InChI=1S/C38H78N2/c1-29-19-21-31(3)37(7,8)35(29)25-23-33(5)39(11,12)27-17-15-16-18-28-40(13,14)34(6)24-26-36-30(2)20-22-32(4)38(36,9)10/h29-36H,15-28H2,1-14H3/q+2</moldb-inchi> <moldb-inchikey>XVSPDWDLOFIEQH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">562.6165005</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>11.8</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>CHEM350778</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-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,3,6-tetramethylcyclohexyl)butan-2-yl]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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Quaternary ammonium salts</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0305163</sync-id> <structure-inchikey>XVSPDWDLOFIEQH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40020000000000000000800000000000000000000000000000000000000000000008001000000000000000000000000000000002000000000000000000000000000000000400000000000000000108000000000000001000000000001000000000000000000000008010000000000000000040020000000000000000000000100000000048000000000000000000010020800000000000000000200000001020000000048004000000000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000040001000100200000000010000000000000000000000000000200000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������(���)���€���`�������`�������`�������`�������`������� ������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`�������`�������`�������`�������`�������`������������������������������� � � ������ �������������������������������������������������������� � !� "��#��$��%��&��'���� ��B���������������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:52:52Z</structure-indexed-at> </compound>