(2-amino-1-methylcyclopentyl)methanol

• ChemBase ID: 278920
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(C(N)CCC1)(CO)C
• Canonical SMILES: OCC1(C)CCCC1N
• InChI: InChI=1S/C7H15NO/c1-7(5-9)4-2-3-6(7)8/h6,9H,2-5,8H2,1H3
• InChIKey: VGJDOVOKSWFTCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-1-methylcyclopentyl)methanol
• IUPAC Traditional name: (2-amino-1-methylcyclopentyl)methanol
• Synonyms: (2-amino-1-methylcyclopentyl)methanol

Database IDs

• MDL Number: MFCD20441529
• PubChem SID: 164334830
• PubChem CID: 54595039

CALCULATED PROPERTIES

• Acid pKa: 15.071944
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.820333
• LogD (pH = 7.4): -2.1439445
• Log P: 0.19144551
• Molar Refractivity: 36.9764 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%