4-amino-4-methylpentan-1-ol

• ChemBase ID: 308907
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(N)(CCCO)(C)C
• Canonical SMILES: OCCCC(N)(C)C
• InChI: InChI=1S/C6H15NO/c1-6(2,7)4-3-5-8/h8H,3-5,7H2,1-2H3
• InChIKey: PUCFHKBOPVGLPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-4-methylpentan-1-ol
• IUPAC Traditional name: 4-amino-4-methylpentan-1-ol
• Synonyms: 4-amino-4-methyl-1-pentanol

Database IDs

• MDL Number: MFCD11052513

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0678458
• LogD (pH = 7.4): -2.7377021
• Log P: -0.041086774
• Molar Refractivity: 34.7781 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 46.25 Å^2