314627 <common-name>2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propan-2-ylphenyl)butanenitrile</common-name> <description>2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propan-2-ylphenyl)butanenitrile is a compound with the chemical formula C18H28N2. It has an average molecular weight of 272.40 g/mol.</description> <cas>14780-13-3</cas> <pubchem-id>26893</pubchem-id> <chemical-formula>C18H28N2</chemical-formula> <weight>272.4</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">2026-08-29T11:43:52Z</created-at> <updated-at type="dateTime">2026-08-29T11:43:52Z</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)C1=CC=C(C=C1)C(CCN(C)C)(C#N)C(C)C</moldb-smiles> <moldb-formula>C18H28N2</moldb-formula> <moldb-inchi>InChI=1S/C18H28N2/c1-14(2)16-7-9-17(10-8-16)18(13-19,15(3)4)11-12-20(5)6/h7-10,14-15H,11-12H2,1-6H3</moldb-inchi> <moldb-inchikey>KTUSQCQBTLVXLJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">272.2252489</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM310520</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>2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propan-2-ylphenyl)butanenitrile</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>CED0265512</sync-id> <structure-inchikey>KTUSQCQBTLVXLJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000002000000000000000000000000200010000000000101000000000000000000000100000000000000000000000000000000000000800000000400000000200000000000008000020000400000000000000000000000200000000000000000000004000000000000000000000000000000000000000000040000000000000000000000000100000000000000800000000000000000000080000000000000600088000000040000000000000000000000000000000000000000000000000000000000000480000000000000000000200000000000028000000000004000040000000000000000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������@(������@h�������@h�������@(������@h�������@h�������� ������`�������`������� ������`�������`�������(�������(�������`�������`�������`�����������������h���h���h���h���h�� � � ������ ���� ������ ����������h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:21:02Z</structure-indexed-at> </compound>