Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20942993

Structure

InChI Key MPSFGRAGPXQWOM-UHFFFAOYSA-N
Smiles NCCCCCC1NCCCCC1
InChI
InChI=1/C11H24N2/c12-9-5-1-3-7-11-8-4-2-6-10-13-11/h11,13H,1-10,12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H24N2
Molecular Weight 184.19
AlogP 2.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 38.05
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 20779-11-7
NORMAN SUSDAT
PubChem 89384