<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">289564</id>
  <title nil="true"/>
  <common-name>Diethylaminomethyl n-(2-bicyclo[2.2.1]hept-5-enyl)carbamate</common-name>
  <description>Diethylaminomethyl n-(2-bicyclo[2.2.1]hept-5-enyl)carbamate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C13H22N2O2 and an average molecular weight of 238.33 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>58057</pubchem-id>
  <chemical-formula>C13H22N2O2</chemical-formula>
  <weight>238.33</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">2026-08-28T03:04:23Z</created-at>
  <updated-at type="dateTime">2026-08-28T03:04:23Z</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>CCN(CC)COC(=O)NC1CC2CC1C=C2</moldb-smiles>
  <moldb-formula>C13H22N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C13H22N2O2/c1-3-15(4-2)9-17-13(16)14-12-8-10-5-6-11(12)7-10/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,14,16)</moldb-inchi>
  <moldb-inchikey>CTOVNXURWMANNO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">238.1681279</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.1</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>CHEM285457</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>Diethylaminomethyl n-(2-bicyclo[2.2.1]hept-5-enyl)carbamate</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 acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0241248</sync-id>
  <structure-inchikey>CTOVNXURWMANNO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>c02000000000010010000000000000000000000000100000400002000000000000000000000010000000000000000000000000000000000000000000000000000004000000000020000000000100000000000000000000000000010000000000800000004000000000020800008000000000000000100000000040000010000000000000000080000000000000000000000000000000000800000000020000000000102400100000000000000000000000000000000000000000000000000000000000000000000000001000000000000002000000000000000000000040000044000000000400000000000002040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������(�������(�������(�������h��������`�������`�������`�������`�������`�������h��������h��������������������������� ��(��	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:02:25Z</structure-indexed-at>
</compound>
