Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 03ZI7ZZW5Q
EPA CompTox DTXSID1046184

Structure

InChI Key WWSAYKJWUZJLRT-UHFFFAOYSA-N
Smiles N#CC1(CCCCC1)N1CCCCC1
InChI
InChI=1S/C12H20N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20N2
Molecular Weight 192.16
AlogP 2.7
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 27.03
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 3867-15-0
NORMAN SUSDAT
FDA SRS 03ZI7ZZW5Q