[1-(methylamino)cyclopentyl]methanol

• ChemBase ID: 269860
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(NC)(CO)CCCC1
• Canonical SMILES: OCC1(NC)CCCC1
• InChI: InChI=1S/C7H15NO/c1-8-7(6-9)4-2-3-5-7/h8-9H,2-6H2,1H3
• InChIKey: HHNUGMYIQYDOSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(methylamino)cyclopentyl]methanol
• IUPAC Traditional name: [1-(methylamino)cyclopentyl]methanol
• Synonyms: [1-(methylamino)cyclopentyl]methanol

Database IDs

• MDL Number: MFCD12781674
• PubChem SID: 164325770
• PubChem CID: 50989043

CALCULATED PROPERTIES

• Acid pKa: 14.778439
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8295448
• LogD (pH = 7.4): -2.227152
• Log P: 0.3954901
• Molar Refractivity: 37.2885 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67 - 69°C
• Hydrophobicity(logP): 0.471

Product Information

• Purity: 95%