N,N,N-trimethylcyclopropanaminium iodide

• ChemBase ID: 110588
• Molecular Formular: C6H14IN
• Molecular Mass: 227.08653
• Monoisotopic Mass: 227.01709745
• SMILES: [I-].C[N+](C)(C)C1CC1
• Canonical SMILES: C[N+](C1CC1)(C)C.[I-]
• InChI: InChI=1S/C6H14N.HI/c1-7(2,3)6-4-5-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
• InChIKey: CUIZRFMVNMOSDG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,N-trimethylcyclopropanaminium iodide
• IUPAC Traditional name: N,N,N-trimethylcyclopropanaminium iodide
• Synonyms: CYCLOPROPYLTRIMETHYLAMMONIUM IODIDE

Database IDs

• CAS Number: 2278-30-0
• PubChem SID: 162096991
• PubChem CID: 24194427

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.5066025
• LogD (pH = 7.4): -3.5066025
• Log P: -3.5066025
• Molar Refractivity: 43.1129 cm^3
• Polarizability: 12.525586 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05215628

MP Biomedicals Rare Chemical collection