Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20864383

Structure

InChI Key XKXKBRKXBRLPNS-UHFFFAOYSA-N
Smiles NCCCNCC(CC)CCCC
InChI
InChI=1/C11H26N2/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11,13H,3-10,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H26N2
Molecular Weight 186.21
AlogP 2.14
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 38.05
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 13281-06-6
NORMAN SUSDAT
PubChem 114486