<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">319590</id>
  <title nil="true"/>
  <common-name>2-(4-butan-2-ylphenyl)-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone</common-name>
  <description>2-(4-butan-2-ylphenyl)-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone is a chemical compound with the formula C19H28N2O. It has an average molecular weight of 300.40 g/mol.</description>
  <cas>63990-63-6</cas>
  <pubchem-id>115608</pubchem-id>
  <chemical-formula>C19H28N2O</chemical-formula>
  <weight>300.4</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">2026-08-29T18:15:44Z</created-at>
  <updated-at type="dateTime">2026-08-29T18:15:44Z</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>CCC(C)C1=CC=C(C=C1)CC(=O)N2C3CCC2CN(C3)C</moldb-smiles>
  <moldb-formula>C19H28N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C19H28N2O/c1-4-14(2)16-7-5-15(6-8-16)11-19(22)21-17-9-10-18(21)13-20(3)12-17/h5-8,14,17-18H,4,9-13H2,1-3H3</moldb-inchi>
  <moldb-inchikey>QVKYEWPCINBEKF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">300.2201635</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.4</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>CHEM315483</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-butan-2-ylphenyl)-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-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>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0270360</sync-id>
  <structure-inchikey>QVKYEWPCINBEKF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000010000000000000010000000400001000001002000200040020100000000000000000000000000000000000000200000000000000000000000000000000000020000000000000000000001000000000000000010000000000004000000000000040020100000000000000000040100000000040001000000000000000104000000000000000000000000000000000008000080004000000000400080000000040000000000000000000000000000000800000000000000000000000000000000000000000000000000220000000000000000000000004000040000000020400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������@(������@h�������@h�������@(������@h�������@h��������`�������(�������(�������(�������`�������`�������`�������`�������`������� ������`�������`��������������������h���h���h���h��	h��
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����(�� �����������������������	�h������B������	�������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:24:52Z</structure-indexed-at>
</compound>
