(1R,2R)-2-(dimethylamino)cyclopentan-1-ol

• ChemBase ID: 57405
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: [C@H]1(N(C)C)[C@H](O)CCC1
• Canonical SMILES: CN([C@@H]1CCC[C@H]1O)C
• InChI: InChI=1S/C7H15NO/c1-8(2)6-4-3-5-7(6)9/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1
• InChIKey: RXMKVUFGNZHQEE-RNFRBKRXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-(dimethylamino)cyclopentan-1-ol
• IUPAC Traditional name: (1R,2R)-2-(dimethylamino)cyclopentan-1-ol
• Synonyms: trans-2-(Dimethylamino)cyclopentanol

Database IDs

• CAS Number: 68327-05-9
• MDL Number: MFCD11520518
• PubChem SID: 162062168
• PubChem CID: 12862486

CALCULATED PROPERTIES

• Acid pKa: 14.597814
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9347913
• LogD (pH = 7.4): -1.7160031
• Log P: 0.46996772
• Molar Refractivity: 37.7628 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false