1-cyclopropyl-5-methylpyrrolidin-3-amine

• ChemBase ID: 236467
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(C2CC2)C(CC(C1)N)C
• Canonical SMILES: NC1CN(C(C1)C)C1CC1
• InChI: InChI=1S/C8H16N2/c1-6-4-7(9)5-10(6)8-2-3-8/h6-8H,2-5,9H2,1H3
• InChIKey: BXEZDTWKLTUSIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-5-methylpyrrolidin-3-amine
• IUPAC Traditional name: 1-cyclopropyl-5-methylpyrrolidin-3-amine
• Synonyms: 1-cyclopropyl-5-methylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD22196595
• PubChem SID: 164292377
• PubChem CID: 71755719

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.71262
• LogD (pH = 7.4): -2.5207174
• Log P: 0.22352709
• Molar Refractivity: 42.1345 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.577

Product Information

• Purity: 95%