(2-amino-5-methylcyclopentyl)methanol

• ChemBase ID: 286527
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(C(CCC1C)N)CO
• Canonical SMILES: OCC1C(C)CCC1N
• InChI: InChI=1S/C7H15NO/c1-5-2-3-7(8)6(5)4-9/h5-7,9H,2-4,8H2,1H3
• InChIKey: LLTOKSKOGNTEPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-5-methylcyclopentyl)methanol
• IUPAC Traditional name: (2-amino-5-methylcyclopentyl)methanol
• Synonyms: (2-amino-5-methylcyclopentyl)methanol

Database IDs

• MDL Number: MFCD21602829
• PubChem SID: 180672058
• PubChem CID: 73994885

CALCULATED PROPERTIES

• Acid pKa: 15.415066
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0358312
• LogD (pH = 7.4): -2.560411
• Log P: -0.013886966
• Molar Refractivity: 37.1821 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.495

Product Information

• Purity: 95%