2,2-bis(2-methylprop-2-en-1-yl)pyrrolidine

• ChemBase ID: 14418
• Molecular Formular: C12H21N
• Molecular Mass: 179.30184
• Monoisotopic Mass: 179.16739968
• SMILES: C1(CC(=C)C)(CC(=C)C)CCCN1
• Canonical SMILES: CC(=C)CC1(CCCN1)CC(=C)C
• InChI: InChI=1S/C12H21N/c1-10(2)8-12(9-11(3)4)6-5-7-13-12/h13H,1,3,5-9H2,2,4H3
• InChIKey: RETNWYLUMYOAFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-bis(2-methylprop-2-en-1-yl)pyrrolidine
• IUPAC Traditional name: 2,2-bis(2-methylprop-2-en-1-yl)pyrrolidine
• Synonyms: 2,2-Bis-(2-methyl-allyl)-pyrrolidine

Database IDs

• MDL Number: MFCD02604222
• PubChem SID: 160977725
• PubChem CID: 1526086

CALCULATED PROPERTIES

• Polarizability: 23.218906 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5184204
• LogD (pH = 7.4): -0.47365025
• Log P: 2.7229993
• Molar Refractivity: 58.1936 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false