2-(3-methylbutyl)pyrrolidine

• ChemBase ID: 240485
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: N1C(CCC(C)C)CCC1
• Canonical SMILES: CC(CCC1CCCN1)C
• InChI: InChI=1S/C9H19N/c1-8(2)5-6-9-4-3-7-10-9/h8-10H,3-7H2,1-2H3
• InChIKey: OYHNQRWWFPHQPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbutyl)pyrrolidine
• IUPAC Traditional name: 2-(3-methylbutyl)pyrrolidine
• Synonyms: 2-(3-methylbutyl)pyrrolidine

Database IDs

• MDL Number: MFCD11170292
• PubChem SID: 164296395
• PubChem CID: 21061949

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.91313547
• LogD (pH = 7.4): -0.860563
• Log P: 2.328173
• Molar Refractivity: 44.9278 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.881

Product Information

• Purity: 95%