(3R)-3-tert-butylpyrrolidine

• ChemBase ID: 800655
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: N1C[C@H](CC1)C(C)(C)C
• Canonical SMILES: CC([C@@H]1CNCC1)(C)C
• InChI: InChI=1S/C8H17N/c1-8(2,3)7-4-5-9-6-7/h7,9H,4-6H2,1-3H3/t7-/m0/s1
• InChIKey: LMVHALAYUBESJG-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-tert-butylpyrrolidine
• IUPAC Traditional name: (3R)-3-tert-butylpyrrolidine
• Synonyms: (3R)-3-TERT-BUTYLPYRROLIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6315866
• LogD (pH = 7.4): -1.56569
• Log P: 1.6095268
• Molar Refractivity: 40.3307 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%