<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">285885</id>
  <title nil="true"/>
  <common-name>N-ethyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethanamine</common-name>
  <description>N-ethyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethanamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the chemical formula C12H23N and an average molecular weight of 181.32 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>216693</pubchem-id>
  <chemical-formula>C12H23N</chemical-formula>
  <weight>181.32</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">2026-08-27T21:41:50Z</created-at>
  <updated-at type="dateTime">2026-08-27T21:41:50Z</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>CCNCCC1=C(C(CC1)(C)C)C</moldb-smiles>
  <moldb-formula>C12H23N</moldb-formula>
  <moldb-inchi>InChI=1S/C12H23N/c1-5-13-9-7-11-6-8-12(3,4)10(11)2/h13H,5-9H2,1-4H3</moldb-inchi>
  <moldb-inchikey>UKQXOEIRDUIREC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">181.1830497</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM281778</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>N-ethyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethanamine</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>CED0237706</sync-id>
  <structure-inchikey>UKQXOEIRDUIREC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000800000000000000000000000000000000000000000000020000002000000000000000000000000000000000000000000000000000000000000000000000000000010000000000008001000000000000000000000000000000000000000000104000000800000000004020000004000000000000800000000000048000000000000020000000080204000000000000000001000000020000000000000000000000000080000400000000000000000000000000000000000000000000000000000000000000000000000000000002200200000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������������€���`�������`�������`�������`�������`�������(�������(������� ������`�������`�������`�������`�������`��������������������������������	��
�������	��B���������	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:59:43Z</structure-indexed-at>
</compound>
