2-(propan-2-yl)pyrrolidine

• ChemBase ID: 264073
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N1C(C(C)C)CCC1
• Canonical SMILES: CC(C1CCCN1)C
• InChI: InChI=1S/C7H15N/c1-6(2)7-4-3-5-8-7/h6-8H,3-5H2,1-2H3
• InChIKey: UOADRGAJWNJVGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01631842
• PubChem SID: 164319983
• PubChem CID: 3855943

CALCULATED PROPERTIES

• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7245193
• LogD (pH = 7.4): -1.6860598
• Log P: 1.5169892
• Molar Refractivity: 35.6488 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.823

Product Information

• Purity: 95%