2-(cyclopentylamino)-1-(pyrrolidin-1-yl)ethan-1-one

• ChemBase ID: 241530
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: N1(C(=O)CNC2CCCC2)CCCC1
• Canonical SMILES: O=C(N1CCCC1)CNC1CCCC1
• InChI: InChI=1S/C11H20N2O/c14-11(13-7-3-4-8-13)9-12-10-5-1-2-6-10/h10,12H,1-9H2
• InChIKey: XKTAIBAIFBCZTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylamino)-1-(pyrrolidin-1-yl)ethan-1-one
• IUPAC Traditional name: 2-(cyclopentylamino)-1-(pyrrolidin-1-yl)ethanone
• Synonyms: 2-(cyclopentylamino)-1-(pyrrolidin-1-yl)ethan-1-one

Database IDs

• MDL Number: MFCD11150331
• PubChem SID: 164297440
• PubChem CID: 28566342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.422441
• LogD (pH = 7.4): -1.0914115
• Log P: 0.6860137
• Molar Refractivity: 56.3478 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.993

Product Information

• Purity: 95%