5-amino-4,4-dimethylpentan-1-ol

• ChemBase ID: 246671
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: C(CN)(CCCO)(C)C
• Canonical SMILES: OCCCC(CN)(C)C
• InChI: InChI=1S/C7H17NO/c1-7(2,6-8)4-3-5-9/h9H,3-6,8H2,1-2H3
• InChIKey: FMBDDEJFIJTHHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-4,4-dimethylpentan-1-ol
• IUPAC Traditional name: 5-amino-4,4-dimethylpentan-1-ol
• Synonyms: 5-amino-4,4-dimethylpentan-1-ol

Database IDs

• MDL Number: MFCD19374424
• PubChem SID: 164302581
• PubChem CID: 23501680

CALCULATED PROPERTIES

• Acid pKa: 16.763605
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5664127
• LogD (pH = 7.4): -1.9566964
• Log P: 0.44930387
• Molar Refractivity: 39.1918 cm^3
• Polarizability: 15.770842 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.263

Product Information

• Purity: 95%