Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID601005724

Structure

InChI Key NLDMHZIITZOHPA-UHFFFAOYSA-N
Smiles N1(C)CCCCC1C2CCCCC2
InChI
InChI=1/C12H23N/c1-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H23N
Molecular Weight 181.18
AlogP 3.05
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 85237-68-9
NORMAN SUSDAT
PubChem 3020570