(2R)-4-methylpentan-2-amine

• ChemBase ID: 1868
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: CC(C)C[C@@H](C)N
• Canonical SMILES: CC(C[C@H](N)C)C
• InChI: InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3/t6-/m1/s1
• InChIKey: UNBMPKNTYKDYCG-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-4-methylpentan-2-amine
• IUPAC Traditional name: @leucine - reduced carbonyl
• Synonyms: Leucine - Reduced Carbonyl

Database IDs

• PubChem SID: 46507789; 160965323
• PubChem CID: 642324

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6255312
• LogD (pH = 7.4): -1.3255228
• Log P: 1.4020343
• Molar Refractivity: 32.7598 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 1.59
• LOG S: -1.01
• Solubility (Water): 9.83e+00 g/l

DETAILS

DrugBank - DB02107

Drug information: experimental