2-amino-3-methylpentan-1-ol

• ChemBase ID: 306471
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(N)(C(CC)C)CO
• Canonical SMILES: CCC(C(CO)N)C
• InChI: InChI=1S/C6H15NO/c1-3-5(2)6(7)4-8/h5-6,8H,3-4,7H2,1-2H3
• InChIKey: VTQHAQXFSHDMHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methylpentan-1-ol
• IUPAC Traditional name: 2-amino-3-methylpentan-1-ol
• Synonyms: 2-amino-3-methylpentan-1-ol

Database IDs

• CAS Number: 4379-13-9
• MDL Number: MFCD09954504

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.581455
• LogD (pH = 7.4): -1.9505256
• Log P: 0.43307802
• Molar Refractivity: 34.2265 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 46.25 Å^2