2-[(methylamino)methyl]cyclopentan-1-ol

• ChemBase ID: 243243
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(C(O)CCC1)CNC
• Canonical SMILES: CNCC1CCCC1O
• InChI: InChI=1S/C7H15NO/c1-8-5-6-3-2-4-7(6)9/h6-9H,2-5H2,1H3
• InChIKey: GQIAIEOURDZWHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(methylamino)methyl]cyclopentan-1-ol
• IUPAC Traditional name: 2-[(methylamino)methyl]cyclopentan-1-ol
• Synonyms: 2-[(methylamino)methyl]cyclopentan-1-ol

Database IDs

• MDL Number: MFCD21311883
• PubChem SID: 164299153
• PubChem CID: 13133888

CALCULATED PROPERTIES

• Acid pKa: 14.911573
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.094585
• LogD (pH = 7.4): -2.5158434
• Log P: 0.13167433
• Molar Refractivity: 37.4081 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

• Hydrophobicity(logP): 0.244

Product Information

• Purity: 95%