<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">298746</id>
  <title nil="true"/>
  <common-name>2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile</common-name>
  <description>2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the chemical formula C15H24N2S and an average molecular weight of 264.40 g/mol.</description>
  <cas>64647-31-0</cas>
  <pubchem-id>3049319</pubchem-id>
  <chemical-formula>C15H24N2S</chemical-formula>
  <weight>264.4</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">2026-08-28T15:08:19Z</created-at>
  <updated-at type="dateTime">2026-08-28T15:08:19Z</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>CCN(CC)CCC(C#N)(C1=CC=CS1)C(C)C</moldb-smiles>
  <moldb-formula>C15H24N2S</moldb-formula>
  <moldb-inchi>InChI=1S/C15H24N2S/c1-5-17(6-2)10-9-15(12-16,13(3)4)14-8-7-11-18-14/h7-8,11,13H,5-6,9-10H2,1-4H3</moldb-inchi>
  <moldb-inchikey>ABBMMYSSECBMOV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">264.16602</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM294639</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-(diethylamino)ethyl]-3-methyl-2-thiophen-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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0250071</sync-id>
  <structure-inchikey>ABBMMYSSECBMOV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40020000000000000000800000002000000000004000000000000000010040100000001002000000000000000000100100000000000100001000000000000040000800000000000000000000000800000000000030000000000000000000000000000200000000000000000000004000000000000800100000000000000000000000000040000000800000000000000000000000800000000000000000000000000000080000000000000200088000000000000000000000000000000000000000000001000000000000000000000000080000000000000000000200000000000020000000000000000040000000000000000001000000040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������`������� ������(�������(������@(������@h�������@h�������@h�������@(�������`�������`�������`�������������������������������	���
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  <structure-indexed-at type="dateTime">2026-09-19T05:09:15Z</structure-indexed-at>
</compound>
