1-cyclopentylpyrrolidin-3-amine

• ChemBase ID: 271271
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(CC(CC1)N)C1CCCC1
• Canonical SMILES: NC1CCN(C1)C1CCCC1
• InChI: InChI=1S/C9H18N2/c10-8-5-6-11(7-8)9-3-1-2-4-9/h8-9H,1-7,10H2
• InChIKey: MKSRQKFKDYWWBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11640875
• PubChem SID: 164327181
• PubChem CID: 43315370

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.499343
• LogD (pH = 7.4): -2.4407558
• Log P: 0.6960894
• Molar Refractivity: 46.9177 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.946

Product Information

• Purity: 95%