Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K6FM67EW5J
EPA CompTox DTXSID70230635

Structure

InChI Key BOYGZZJDNIMQTC-UHFFFAOYSA-N
Smiles CNC1CCCCCCCCC1
InChI
InChI=1S/C11H23N/c1-12-11-9-7-5-3-2-4-6-8-10-11/h11-12H,2-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H23N1
Molecular Weight 169.18
AlogP 3.1
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.03
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 80789-66-8
NORMAN SUSDAT
FDA SRS K6FM67EW5J
PubChem 96878
ChemSpider 87472.0