1-cyclopentanecarbonylpyrrolidin-3-amine

• ChemBase ID: 238730
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: N1(C(=O)C2CCCC2)CC(CC1)N
• Canonical SMILES: NC1CCN(C1)C(=O)C1CCCC1
• InChI: InChI=1S/C10H18N2O/c11-9-5-6-12(7-9)10(13)8-3-1-2-4-8/h8-9H,1-7,11H2
• InChIKey: AWEKFLBBQMOTJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonylpyrrolidin-3-amine
• IUPAC Traditional name: 1-cyclopentanecarbonylpyrrolidin-3-amine
• Synonyms: 1-cyclopentanecarbonylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD16667139
• PubChem SID: 164294640
• PubChem CID: 59657950

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.737793
• LogD (pH = 7.4): -1.7075907
• Log P: 0.23721541
• Molar Refractivity: 51.3769 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.089

Product Information

• Purity: 95%