2,2,5-trimethylpyrrolidine

• ChemBase ID: 72209
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1(NC(CC1)C)(C)C
• Canonical SMILES: CC1CCC(N1)(C)C
• InChI: InChI=1S/C7H15N/c1-6-4-5-7(2,3)8-6/h6,8H,4-5H2,1-3H3
• InChIKey: KYJPHSGZNHRHDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,5-trimethylpyrrolidine
• IUPAC Traditional name: 2,2,5-trimethylpyrrolidine
• Synonyms: 2,2,5-Trimethylpyrrolidine

Database IDs

• MDL Number: MFCD19217421
• PubChem SID: 162104156
• PubChem CID: 21572701

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9147974
• LogD (pH = 7.4): -1.8716825
• Log P: 1.3266457
• Molar Refractivity: 35.7102 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT