Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID301005820

Structure

InChI Key MIKYASNSDCJESJ-UHFFFAOYSA-N
Smiles N#CCC(C)CCCCCCC
InChI
InChI=1/C11H21N/c1-3-4-5-6-7-8-11(2)9-10-12/h11H,3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H21N
Molecular Weight 167.17
AlogP 3.9
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 23.79
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 85351-05-9
NORMAN SUSDAT
PubChem 3020614