{[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methyl}trimethylazanium iodide

• ChemBase ID: 200540
• Molecular Formular: C13H26IN
• Molecular Mass: 323.25671
• Monoisotopic Mass: 323.11099784
• SMILES: C1(C(C1C[N+](C)(C)C)(C)C)C=C(C)C.[I-]
• Canonical SMILES: CC(=CC1C(C1(C)C)C[N+](C)(C)C)C.[I-]
• InChI: InChI=1S/C13H26N.HI/c1-10(2)8-11-12(13(11,3)4)9-14(5,6)7;/h8,11-12H,9H2,1-7H3;1H/q+1;/p-1
• InChIKey: LHGJZFCKMRUXRQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methyl}trimethylazanium iodide
• IUPAC Traditional name: {[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methyl}trimethylazanium iodide

Database IDs

• PubChem SID: 164256450
• PubChem CID: 52993885

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.5469276
• LogD (pH = 7.4): -1.5469276
• Log P: -1.5469276
• Molar Refractivity: 76.0166 cm^3
• Polarizability: 25.218527 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: I-
• Classification: Derivatives & analogs of Natural Compounds