<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">298868</id>
  <title nil="true"/>
  <common-name>2-[4-(diethylamino)butylamino]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione</common-name>
  <description>2-[4-(diethylamino)butylamino]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C15H25N3O2 and an average molecular weight of 279.38 g/mol.</description>
  <cas>101086-99-1</cas>
  <pubchem-id>3063568</pubchem-id>
  <chemical-formula>C15H25N3O2</chemical-formula>
  <weight>279.38</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">2026-08-28T15:16:10Z</created-at>
  <updated-at type="dateTime">2026-08-28T15:16:10Z</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)CCCCNC1=CC(=O)C(=CC1=O)NC</moldb-smiles>
  <moldb-formula>C15H25N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H25N3O2/c1-4-18(5-2)9-7-6-8-17-13-11-14(19)12(16-3)10-15(13)20/h10-11,16-17H,4-9H2,1-3H3</moldb-inchi>
  <moldb-inchikey>FSLBHKJXVCYFJY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">279.1946771</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM294761</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-[4-(diethylamino)butylamino]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione</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 oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0250190</sync-id>
  <structure-inchikey>FSLBHKJXVCYFJY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>880000000000000000000001000000000000000000100000000002000020000000000000000000000000000000000000000000000000000000000000000000008000000800000020001000000000000000000010000000000000000000000000000000004000000000000800001000000000010000000000000040000000000000400000000080100000000080000000000010000000000000000000000000000000080000000080020000000000000000200000000000000000000400000000000000000000040000000000000000000000000000000000000000000000000040000000010000000001000008040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFAAAAIABBgBgAAAAAQMGAGAAAAAC
AgcAIAAAAAMGAGAAAAACAgYAYAAAAAEDBgBgAAAAAgIGAGAAAAACAgYAYAAA
AAICBgBgAAAAAgIHAGgAAAADAgEGACgAAAADBAYAaAAAAAMDAQYAKAAAAAME
CAAoAAAAAwIGACgAAAADBAYAaAAAAAMDAQYAKAAAAAMECAAoAAAAAwIHAGgA
AAADAgEGAGAAAAABAwsAAQABAgACAwADBAACBQAFBgAGBwAHCAAICQAJCiAK
CygCCwwgDA0oAgwOIA4PKAIPECAQESgCDhIgEhMAEAogQgEAAAAGChAPDgwL
FwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:09:21Z</structure-indexed-at>
</compound>
