Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2U3UBJ45HD
EPA CompTox DTXSID40170357

Structure

InChI Key XPDSXKIDJNKIQY-UHFFFAOYSA-N
Smiles C1CCC(CC1)N1CCNCC1
InChI
InChI=1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20N2
Molecular Weight 168.16
AlogP 1.22
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 15.27
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 17766-28-8
NORMAN SUSDAT
FDA SRS 2U3UBJ45HD
PubChem 87298
ChemSpider 62532.0