2-(pyrrolidin-1-yl)cyclopentan-1-amine

• ChemBase ID: 259735
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(C2C(N)CCC2)CCCC1
• Canonical SMILES: NC1CCCC1N1CCCC1
• InChI: InChI=1S/C9H18N2/c10-8-4-3-5-9(8)11-6-1-2-7-11/h8-9H,1-7,10H2
• InChIKey: CIMJMHGPAPQPTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-yl)cyclopentan-1-amine
• IUPAC Traditional name: 2-(pyrrolidin-1-yl)cyclopentan-1-amine
• Synonyms: 2-(pyrrolidin-1-yl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD09739269
• PubChem SID: 164315645
• PubChem CID: 16792461

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.657562
• LogD (pH = 7.4): -2.5451846
• Log P: 0.7688834
• Molar Refractivity: 46.9613 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): 1.077

Product Information

• Purity: 95%