<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">302678</id>
  <title nil="true"/>
  <common-name>(2e)-3,7-dimethyl-n-phenylocta-2,6-dien-1-imine</common-name>
  <description>(2e)-3,7-dimethyl-n-phenylocta-2,6-dien-1-imine belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C16H21N and an average molecular weight of 227.34 g/mol. It is further classified under the superclass of lipids and lipid-like molecules.</description>
  <cas nil="true"/>
  <pubchem-id>6450429</pubchem-id>
  <chemical-formula>C16H21N</chemical-formula>
  <weight>227.34</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">2026-08-28T19:45:44Z</created-at>
  <updated-at type="dateTime">2026-08-28T19:45:44Z</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(=CCCC(=CC=NC1=CC=CC=C1)C)C</moldb-smiles>
  <moldb-formula>C16H21N</moldb-formula>
  <moldb-inchi>InChI=1S/C16H21N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-13H,7,9H2,1-3H3/b15-12+,17-13?</moldb-inchi>
  <moldb-inchikey>IBACNGYLSFSPQM-PZMOWSOHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">227.1673997</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.9</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>CHEM298571</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>(2e)-3,7-dimethyl-n-phenylocta-2,6-dien-1-imine</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>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0253894</sync-id>
  <structure-inchikey>IBACNGYLSFSPQM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800004000000000000000000000000000000000000000000000000000040000000000400000004004000000000000000000100000000000000000000000000000000000000000000000000000200000004000000000000000000010000000000000000000000000000000000000800000000001000400000000040000002800000000000000000000000000100000000000000400000000000000100000000000000080000000000000000000040000000000000000000000008020200000000000000000000000000000200200000000200000000000000000000000002000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������h��������`�������`�������(�������h��������h��������(������@(������@h�������@h�������@h�������@h�������@h��������`�������`������������������������(��� ��(��	 	
h�
�h���h��h��h��������	h�B�����	���
����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:12:03Z</structure-indexed-at>
</compound>
