(2-amino-2-methylcyclopentyl)methanol

• ChemBase ID: 804641
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C(O)C1C(CCC1)(C)N
• Canonical SMILES: OCC1CCCC1(C)N
• InChI: InChI=1S/C7H15NO/c1-7(8)4-2-3-6(7)5-9/h6,9H,2-5,8H2,1H3
• InChIKey: CDXIZMCKBSBIMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-2-methylcyclopentyl)methanol
• IUPAC Traditional name: (2-amino-2-methylcyclopentyl)methanol
• Synonyms: (CIS-2-AMINO-2-METHYL-CYCLOPENTYL)-METHANOL

Database IDs

• CAS Number: 202921-91-3

CALCULATED PROPERTIES

• Acid pKa: 15.414836
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0471582
• LogD (pH = 7.4): -2.7195418
• Log P: -0.020329393
• Molar Refractivity: 37.2717 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%