<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365566</id>
  <title nil="true"/>
  <common-name>2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone</common-name>
  <description>2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone is a chemical compound with the formula C9H17N3O. It has an average molecular weight of 183.25 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>2756306</pubchem-id>
  <chemical-formula>C9H17N3O</chemical-formula>
  <weight>183.25</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">2026-09-01T16:14:33Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:14:33Z</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>C=CCN1CCN(CC1)C(=O)CN</moldb-smiles>
  <moldb-formula>C9H17N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C9H17N3O/c1-2-3-11-4-6-12(7-5-11)9(13)8-10/h2H,1,3-8,10H2</moldb-inchi>
  <moldb-inchikey>ZLLIGTGLSYKGNV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">183.1371622</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.7</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>CHEM361459</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>2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone</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>CED0315517</sync-id>
  <structure-inchikey>ZLLIGTGLSYKGNV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>810040000000020800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000200000000000000008000000000010000000000000000000000000000020108000000000400000040000000000000000000000000000000000000001000000000000000000000000000000000000000000000000200000000000000020000000002008000010000000000000000000004000000000000040000000000000000000000000000000000010000000800000000000000000000000400000000000000000000004000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������������€���h��������h��������`������� ������`�������`�������(�������`�������`�������(�������(�������`�������`��������������������������������	 	
(�	��������B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:37Z</structure-indexed-at>
</compound>
