Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 64D57S7HGV
EPA CompTox DTXSID10150207

Structure

InChI Key NZLJDTKLZIMONR-UHFFFAOYSA-N
Smiles CCCCCCc1ccccn1
InChI
InChI=1S/C11H17N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6-7,9-10H,2-5,8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17N1
Molecular Weight 163.14
AlogP 3.2
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 12.89
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1129-69-7
NORMAN SUSDAT
FDA SRS 64D57S7HGV
PubChem 70797
ChemSpider 63962.0