<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">363334</id>
  <title nil="true"/>
  <common-name>3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride</common-name>
  <description>3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride is a compound with the formula C8H16ClN. It has an average molecular weight of 161.67 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>138112566</pubchem-id>
  <chemical-formula>C8H16ClN</chemical-formula>
  <weight>161.67</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">2026-09-01T12:52:56Z</created-at>
  <updated-at type="dateTime">2026-09-01T12:52:56Z</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)C12CC(C1)(C2)N.Cl</moldb-smiles>
  <moldb-formula>C8H16ClN</moldb-formula>
  <moldb-inchi>InChI=1S/C8H15N.ClH/c1-6(2)7-3-8(9,4-7)5-7;/h6H,3-5,9H2,1-2H3;1H</moldb-inchi>
  <moldb-inchikey>NEAKIEVMLDPIOT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">161.0971272</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM359227</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>3-propan-2-ylbicyclo[1.1.1]pentan-1-amine;hydrochloride</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>CED0313371</sync-id>
  <structure-inchikey>NEAKIEVMLDPIOT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000000000000000002000000000000040000000000000000001000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000001000000000000048000000000000000000000000001000200000000000000000000000000200000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000002000000000000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������
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  <structure-indexed-at type="dateTime">2026-09-19T06:00:03Z</structure-indexed-at>
</compound>
