<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">72342</id>
  <title nil="true"/>
  <common-name>Cyclohexanamine, 1-ethynyl-</common-name>
  <description nil="true"/>
  <cas>30389-18-5</cas>
  <pubchem-id>121691</pubchem-id>
  <chemical-formula>C8H13N1</chemical-formula>
  <weight>123.2</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">2026-04-03T21:40:16Z</created-at>
  <updated-at type="dateTime">2026-08-24T14:13:31Z</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>NC1(CCCCC1)C#C</moldb-smiles>
  <moldb-formula>C8H13N1</moldb-formula>
  <moldb-inchi>InChI=1S/C8H13N/c1-2-8(9)6-4-3-5-7-8/h1H,3-7,9H2</moldb-inchi>
  <moldb-inchikey>GDKOYYDQISQOMH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">123.199</moldb-average-mass>
  <moldb-mono-mass type="decimal">123.104799</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>108579</chemspider-id>
  <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>CHEM068235</chemdb-id>
  <dsstox-id>DTXSID5067554</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00028917</susdat-id>
  <iupac>1-ethynylcyclohexan-1-amine</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>Cyclohexylamines</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0142298</sync-id>
</compound>
