3-amino-3-methylpentan-1-ol

• ChemBase ID: 238841
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(N)(CCO)(CC)C
• Canonical SMILES: OCCC(CC)(N)C
• InChI: InChI=1S/C6H15NO/c1-3-6(2,7)4-5-8/h8H,3-5,7H2,1-2H3
• InChIKey: WIKUCGJLELHSGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19209591
• PubChem SID: 164294751
• PubChem CID: 20376797

CALCULATED PROPERTIES

• Log P: -0.03592705
• Molar Refractivity: 34.6575 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.916127
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.062278
• LogD (pH = 7.4): -2.7176714

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.28

Product Information

• Purity: 95%