2-(2-methylbutan-2-yl)pyrrolidine

• ChemBase ID: 242017
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: N1C(C(CC)(C)C)CCC1
• Canonical SMILES: CCC(C1CCCN1)(C)C
• InChI: InChI=1S/C9H19N/c1-4-9(2,3)8-6-5-7-10-8/h8,10H,4-7H2,1-3H3
• InChIKey: ISCIHFDHYBPWIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylbutan-2-yl)pyrrolidine
• IUPAC Traditional name: 2-(2-methylbutan-2-yl)pyrrolidine
• Synonyms: 2-(2-methylbutan-2-yl)pyrrolidine

Database IDs

• MDL Number: MFCD16844524
• PubChem SID: 164297927
• PubChem CID: 62677251

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.90178645
• LogD (pH = 7.4): -0.8517785
• Log P: 2.3395588
• Molar Refractivity: 44.6479 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.751

Product Information

• Purity: 95%