<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">323715</id>
  <title nil="true"/>
  <common-name>2-[2-(dimethylamino)ethyl]-3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile</common-name>
  <description>2-[2-(dimethylamino)ethyl]-3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile is a compound with the formula C20H26N2. It has an average molecular weight of 294.40 g/mol.</description>
  <cas>67293-08-7</cas>
  <pubchem-id>49793</pubchem-id>
  <chemical-formula>C20H26N2</chemical-formula>
  <weight>294.4</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">2026-08-30T00:29:56Z</created-at>
  <updated-at type="dateTime">2026-08-30T00:29:56Z</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)C(CCN(C)C)(CC1=CC=CC2=CC=CC=C21)C#N</moldb-smiles>
  <moldb-formula>C20H26N2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H26N2/c1-16(2)20(15-21,12-13-22(3)4)14-18-10-7-9-17-8-5-6-11-19(17)18/h5-11,16H,12-14H2,1-4H3</moldb-inchi>
  <moldb-inchikey>PDXNGPZVAHRNQG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">294.2095988</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.7</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>CHEM319608</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-(naphthalen-1-ylmethyl)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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0274385</sync-id>
  <structure-inchikey>PDXNGPZVAHRNQG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000002000000000000000000010000000010000000000101000000000000000000000000000000000000000000000000000000000000000000000000000800000200000000048000020000400000000000000000000000200000000000000000000004080000000000000000000000000000000000001000040000001800080000000000000100000000100000000000000000000000000080000000004040200088000000000000000000000100000000000000000000000040000040000000000000000000000000000000000000200000000000000000000000001400040000000000000000001000000000000040000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������`�������`������� ������`�������`�������`������@(������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@(�������(�������(�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:28:06Z</structure-indexed-at>
</compound>
