353883 <common-name>5-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium</common-name> <description>5-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium is a chemical compound with the formula C35H68N2+2. With an average molecular weight of 516.90 g/mol, 5-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>48047</pubchem-id> <chemical-formula>C35H68N2+2</chemical-formula> <weight>516.9</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">2026-08-31T21:03:24Z</created-at> <updated-at type="dateTime">2026-08-31T21:03:24Z</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>CC1=C(C(CCC1)(C)C)CCC(C)[N+](C)(C)CCCCC[N+](C)(C)C(C)CCC2=C(CCCC2(C)C)C</moldb-smiles> <moldb-formula>C35H68N2+2</moldb-formula> <moldb-inchi>InChI=1S/C35H68N2/c1-28-18-16-24-34(5,6)32(28)22-20-30(3)36(9,10)26-14-13-15-27-37(11,12)31(4)21-23-33-29(2)19-17-25-35(33,7)8/h30-31H,13-27H2,1-12H3/q+2</moldb-inchi> <moldb-inchikey>NOUDVBBMCXFLAI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">516.5382502</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8.7</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>CHEM349776</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>5-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)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>CED0304165</sync-id> <structure-inchikey>NOUDVBBMCXFLAI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40020000000000000000800000000000000000000000000000000000000000000040001000000000000000000000000000040002000000080000000000000000000010000000000000000000000108080000000000000000000000001000000000000000000000000010000000000000800040020000004000000000000000000800020048000000000000000000010020200000000000000000001000000020000000008000000004000000080000000000000000000000000000000000000000000000008000000000000000100000000000000000002000200000000000000000000000000000000000000000010000000000080000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������%���&���€���`�������(�������(������� ������`�������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������(�������(�������`�������`�������`������� ������`�������`�������`�������������������������������� � � ������ � �� �� ������������������������������������������������� � !�!"�!#��$����!��B��������������� !�����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:51:40Z</structure-indexed-at> </compound>