5-amino-4-methylpentan-2-ol

• ChemBase ID: 278158
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: NCC(CC(O)C)C
• Canonical SMILES: CC(CN)CC(O)C
• InChI: InChI=1S/C6H15NO/c1-5(4-7)3-6(2)8/h5-6,8H,3-4,7H2,1-2H3
• InChIKey: BSJILSAQCDSDCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-4-methylpentan-2-ol
• IUPAC Traditional name: 5-amino-4-methylpentan-2-ol
• Synonyms: 5-amino-4-methylpentan-2-ol

Database IDs

• MDL Number: MFCD19982516
• PubChem SID: 164334068
• PubChem CID: 53621937

CALCULATED PROPERTIES

• Acid pKa: 15.653574
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9725773
• LogD (pH = 7.4): -2.3660023
• Log P: 0.043309383
• Molar Refractivity: 34.6115 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.356

Product Information

• Purity: 95%