1-Amino-1-Carbonyl Pentane

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.

Monoalkylamines

Organic compounds

Organonitrogen compounds

Amines

Primary amines

Calculated Property

kind Value Source
logP 0.9 ALOGPS
logS -0.42 ALOGPS
Water Solubility 4.36e+01 g/l ALOGPS
logP 0.67 ChemAxon
IUPAC Name (2R)-2-aminohexanal ChemAxon
Traditional IUPAC Name 1-amino-1-carbonyl pentane ChemAxon
Molecular Weight 115.1735 ChemAxon
Monoisotopic Weight 115.099714043 ChemAxon
SMILES CCCC[C@@H](N)C=O ChemAxon
Molecular Formula C6H13NO ChemAxon
InChI InChI=1S/C6H13NO/c1-2-3-4-6(7)5-8/h5-6H,2-4,7H2,1H3/t6-/m1/s1 ChemAxon
InChIKey InChIKey=TZJGKUCHNFFHGN-ZCFIWIBFSA-N ChemAxon
Polar Surface Area (PSA) 43.09 ChemAxon
Refractivity 33.3 ChemAxon
Polarizability 13.53 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 17.46 ChemAxon
pKa (strongest basic) 8.09 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Candidapepsin-2 : in Yeast