2-cyclohexyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride

• ChemBase ID: 243939
• Molecular Formular: C15H27ClN2O
• Molecular Mass: 286.84068
• Monoisotopic Mass: 286.18119117
• SMILES: N1(C(=O)[C@H]2NCCC2)C(C2CCCCC2)CCC1.Cl
• Canonical SMILES: O=C(N1CCCC1C1CCCCC1)[C@@H]1CCCN1.Cl
• InChI: InChI=1S/C15H26N2O.ClH/c18-15(13-8-4-10-16-13)17-11-5-9-14(17)12-6-2-1-3-7-12;/h12-14,16H,1-11H2;1H/t13-,14?;/m0./s1
• InChIKey: GZPLONKDJFEYBE-GPFYXIAXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride
• IUPAC Traditional name: 2-cyclohexyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride
• Synonyms: 2-cyclohexyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22628408
• PubChem SID: 164299849
• PubChem CID: 71757379

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0838214
• LogD (pH = 7.4): -0.23478705
• Log P: 2.123116
• Molar Refractivity: 72.6361 cm^3
• Polarizability: 28.905312 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.743

Product Information

• Purity: 95%