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

Structure

InChI Key YYAYTNPNFKPFNG-UHFFFAOYSA-N
Smiles NCCCN1CCCCC1C
InChI
InChI=1/C9H20N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-8,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H20N2
Molecular Weight 156.16
AlogP 1.21
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 29.26
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 25560-00-3
NORMAN SUSDAT
PubChem 520211