1-cyclopropyl-4-methylpyrrolidin-3-amine

• ChemBase ID: 237306
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(C2CC2)CC(C(C1)N)C
• Canonical SMILES: NC1CN(CC1C)C1CC1
• InChI: InChI=1S/C8H16N2/c1-6-4-10(5-8(6)9)7-2-3-7/h6-8H,2-5,9H2,1H3
• InChIKey: KJSCOXHVQCIXQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-4-methylpyrrolidin-3-amine
• IUPAC Traditional name: 1-cyclopropyl-4-methylpyrrolidin-3-amine
• Synonyms: 1-cyclopropyl-4-methylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD22369927
• PubChem SID: 164293216
• PubChem CID: 71755905

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.6468277
• LogD (pH = 7.4): -2.4483109
• Log P: 0.28627563
• Molar Refractivity: 42.1321 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%