Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.

Cyclic alcohols and derivatives

Organic compounds

Organooxygen compounds

Alcohols and polyols

Cyclic alcohols and derivatives

Calculated Property

kind Value Source
logP 1.56 ALOGPS
logS -1.7 ALOGPS
Water Solubility 2.96e+00 g/l ALOGPS
logP 1.23 ChemAxon
IUPAC Name (2S)-2-amino-3-cyclohexylpropan-1-ol ChemAxon
Traditional IUPAC Name (2S)-2-amino-3-cyclohexylpropan-1-ol ChemAxon
Molecular Weight 157.2533 ChemAxon
Monoisotopic Weight 157.146664235 ChemAxon
Molecular Formula C9H19NO ChemAxon
InChI InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1 ChemAxon
Polar Surface Area (PSA) 46.25 ChemAxon
Refractivity 46.3 ChemAxon
Polarizability 19.12 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 15.13 ChemAxon
pKa (strongest basic) 9.83 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Renin : in Human
  • Candidapepsin-2 : in Yeast