2-[1-(aminomethyl)cyclopentyl]ethan-1-ol

• ChemBase ID: 285298
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1(CN)(CCO)CCCC1
• Canonical SMILES: OCCC1(CN)CCCC1
• InChI: InChI=1S/C8H17NO/c9-7-8(5-6-10)3-1-2-4-8/h10H,1-7,9H2
• InChIKey: XFNILSFZGMGXCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(aminomethyl)cyclopentyl]ethan-1-ol
• IUPAC Traditional name: 2-[1-(aminomethyl)cyclopentyl]ethanol
• Synonyms: 2-[1-(aminomethyl)cyclopentyl]ethan-1-ol

Database IDs

• MDL Number: MFCD20731230
• PubChem SID: 180670829
• PubChem CID: 56828128

CALCULATED PROPERTIES

• Acid pKa: 15.954447
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5674646
• LogD (pH = 7.4): -1.7150586
• Log P: 0.43014663
• Molar Refractivity: 41.9906 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): 0.488

Product Information

• Purity: 95%