100458 <common-name>3-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile</common-name> <description>3-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C13H19N and an average molecular weight of 189.30 g/mol. It is further classified under the superclass of lipids and lipid-like molecules.</description> <cas>68084-04-8</cas> <pubchem-id>107099</pubchem-id> <chemical-formula>C13H19N</chemical-formula> <weight>189.3</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">2026-04-05T07:50:29Z</created-at> <updated-at type="dateTime">2026-08-19T01:38:01Z</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(C)=CCCC1=CCCC(C1)C#N</moldb-smiles> <moldb-formula>C13H19N</moldb-formula> <moldb-inchi>InChI=1/C13H19N/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h5,7,13H,3-4,6,8-9H2,1-2H3</moldb-inchi> <moldb-inchikey>GEJOPKQYKGEUFA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">189.302</moldb-average-mass> <moldb-mono-mass type="decimal">189.1517496</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM096351</chemdb-id> <dsstox-id>DTXSID50867463</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063510</susdat-id> <iupac>3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile</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">0</paper-count> <sync-id>CED0121666</sync-id> <structure-inchikey>GEJOPKQYKGEUFA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000000000000000000010000000000000000000020000000400000000000004000000000000000008100000000000000000000000080000000000000000000000020000200000000000000001000000200010000000000000000000000100000020000000000000000000000500000000040000000000000000000001000000000000000000000001000400000000000000004000000000000088000000000000000000000000000000000000000000000420200000000800000000000000000000001000000000000100004000000000000000000000040000000000000000000000000000000040000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGACgAAAAD BAYAYAAAAAEDBgBoAAAAAwMBBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMEBgBo AAAAAwMBBgBgAAAAAgIGAGAAAAACAgYAYAAAAAMBBgBgAAAAAgIGACgAAAAC BAcAKAAAAAIDCwABAAECAAEDCAIDBAAEBQAFBgAGBwgCBwgACAkACQoACgsA CgwADA0IAwsGAEIBAAAABgYLCgkIBxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:17Z</structure-indexed-at> </compound>