2-(3-aminopropyl)cyclopentan-1-ol

• ChemBase ID: 240643
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1(C(CCC1)CCCN)O
• Canonical SMILES: NCCCC1CCCC1O
• InChI: InChI=1S/C8H17NO/c9-6-2-4-7-3-1-5-8(7)10/h7-8,10H,1-6,9H2
• InChIKey: CPFCAUANGFSTPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-aminopropyl)cyclopentan-1-ol
• IUPAC Traditional name: 2-(3-aminopropyl)cyclopentan-1-ol
• Synonyms: 2-(3-aminopropyl)cyclopentan-1-ol

Database IDs

• MDL Number: MFCD09035103
• PubChem SID: 164296553
• PubChem CID: 23008730

CALCULATED PROPERTIES

• Acid pKa: 18.59076
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4773064
• LogD (pH = 7.4): -2.0573165
• Log P: 0.54667455
• Molar Refractivity: 41.9343 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.398

Product Information

• Purity: 95%