octahydrocyclopenta[c]pyrrol-4-amine

• ChemBase ID: 281446
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: C12C(CCC1CNC2)N
• Canonical SMILES: NC1CCC2C1CNC2
• InChI: InChI=1S/C7H14N2/c8-7-2-1-5-3-9-4-6(5)7/h5-7,9H,1-4,8H2
• InChIKey: HGOQIVARGHXIRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydrocyclopenta[c]pyrrol-4-amine
• IUPAC Traditional name: octahydrocyclopenta[c]pyrrol-4-amine
• Synonyms: octahydrocyclopenta[c]pyrrol-4-amine

Database IDs

• MDL Number: MFCD12913245
• PubChem SID: 180666977
• PubChem CID: 22924378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.7217484
• LogD (pH = 7.4): -5.5141215
• Log P: -0.52833617
• Molar Refractivity: 37.2046 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.241

Product Information

• Purity: 95%