Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90880671

Structure

InChI Key DNXQKSGKSCAEIY-UHFFFAOYSA-N
Smiles N1CCCCC1C2CCCCC2
InChI
InChI=1/C11H21N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h10-12H,1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H21N
Molecular Weight 167.17
AlogP 2.71
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 56528-77-9
NORMAN SUSDAT
PubChem 92439