301819 <common-name>4-(dimethylamino)-2-naphthalen-2-ylbutanenitrile</common-name> <description>4-(dimethylamino)-2-naphthalen-2-ylbutanenitrile belongs to the naphthalenes, a class of benzenoids within the organic compounds. This compound has the chemical formula C16H18N2 and an average molecular weight of 238.33 g/mol.</description> <cas>3582-41-0</cas> <pubchem-id>19158</pubchem-id> <chemical-formula>C16H18N2</chemical-formula> <weight>238.33</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">2026-08-28T18:53:04Z</created-at> <updated-at type="dateTime">2026-08-28T18:53:04Z</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>CN(C)CCC(C#N)C1=CC2=CC=CC=C2C=C1</moldb-smiles> <moldb-formula>C16H18N2</moldb-formula> <moldb-inchi>InChI=1S/C16H18N2/c1-18(2)10-9-16(12-17)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16H,9-10H2,1-2H3</moldb-inchi> <moldb-inchikey>QEDVOUKKGFBBBD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">238.1469986</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM297712</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>4-(dimethylamino)-2-naphthalen-2-ylbutanenitrile</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>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0253047</sync-id> <structure-inchikey>QEDVOUKKGFBBBD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000080000000000000000000000000000010000000000000000000010000000020000000000000000000000000000000000000000000000000004000000000000000020000000000000800002000040000000000100000000000020000000000000000000010400000c000000000000000000000000000004000000040000001800000000000000000100000000100000000000000000000000000000000000000000440088000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000005000040000000200000000001000000000000000000000000</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���h�� h� �h���h���h���h���h�� h�B��������� ��� �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:11:24Z</structure-indexed-at> </compound>