2-(aminomethyl)cyclopentan-1-ol

• ChemBase ID: 273903
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(C(O)CCC1)CN
• Canonical SMILES: NCC1CCCC1O
• InChI: InChI=1S/C6H13NO/c7-4-5-2-1-3-6(5)8/h5-6,8H,1-4,7H2
• InChIKey: VORALDSQPSWPRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12190200
• PubChem SID: 164329813
• PubChem CID: 533887

CALCULATED PROPERTIES

• Acid pKa: 14.911945
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.313304
• LogD (pH = 7.4): -2.646703
• Log P: -0.30090606
• Molar Refractivity: 32.6335 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.024

Product Information

• Purity: 95%