(3R)-3-(2-methylpropyl)pyrrolidine

• ChemBase ID: 801114
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: N1C[C@@H](CC1)CC(C)C
• Canonical SMILES: CC(C[C@H]1CNCC1)C
• InChI: InChI=1S/C8H17N/c1-7(2)5-8-3-4-9-6-8/h7-9H,3-6H2,1-2H3/t8-/m0/s1
• InChIKey: HIYDGLLISXSAIC-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-(2-methylpropyl)pyrrolidine
• IUPAC Traditional name: (3R)-3-(2-methylpropyl)pyrrolidine
• Synonyms: (3R)-3-ISOBUTYLPYRROLIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4870845
• LogD (pH = 7.4): -1.4225029
• Log P: 1.7540482
• Molar Refractivity: 40.4566 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%