Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6B3KS60E1H
EPA CompTox DTXSID501316477

Structure

InChI Key QFDISQIDKZUABE-UHFFFAOYSA-N
Smiles N1(N2CCCCC2)CCCCC1
InChI
InChI=1/C10H20N2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20N2
Molecular Weight 168.16
AlogP 1.87
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 6.48
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 531-67-9
NORMAN SUSDAT
FDA SRS 6B3KS60E1H
PubChem 68279