Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90946009

Structure

InChI Key OHTVZIMDFZDLPB-UHFFFAOYSA-N
Smiles N(CCC)CCCCNCCC
InChI
InChI=1/C10H24N2/c1-3-7-11-9-5-6-10-12-8-4-2/h11-12H,3-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H24N2
Molecular Weight 172.19
AlogP 1.77
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 24.06
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 23346-57-8
NORMAN SUSDAT
PubChem 90071