Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID101004945

Structure

InChI Key CNMWHDXYWDRZLD-UHFFFAOYSA-N
Smiles N#CCCNCC(CC)CCCC
InChI
InChI=1/C11H22N2/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11,13H,3-7,9-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22N2
Molecular Weight 182.18
AlogP 2.71
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 35.82
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 84650-69-1
NORMAN SUSDAT
PubChem 20444821