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

• ChemBase ID: 242629
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(O)(CNC)CCCC1
• Canonical SMILES: CNCC1(O)CCCC1
• InChI: InChI=1S/C7H15NO/c1-8-6-7(9)4-2-3-5-7/h8-9H,2-6H2,1H3
• InChIKey: JHJHDBGUTJWNTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11580063
• PubChem SID: 164298539
• PubChem CID: 11829459

CALCULATED PROPERTIES

• Acid pKa: 14.422784
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.827263
• LogD (pH = 7.4): -2.1841319
• 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

• Hydrophobicity(logP): 0.471

Product Information

• Purity: 95%