{[(2R)-3,3-dimethyloxiran-2-yl]methyl}diethylamine

• ChemBase ID: 119302
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: O1[C@@H](C1(C)C)CN(CC)CC
• Canonical SMILES: CCN(C[C@H]1OC1(C)C)CC
• InChI: InChI=1S/C9H19NO/c1-5-10(6-2)7-8-9(3,4)11-8/h8H,5-7H2,1-4H3/t8-/m1/s1
• InChIKey: UQZHUGUDCDTJNK-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(2R)-3,3-dimethyloxiran-2-yl]methyl}diethylamine
• IUPAC Traditional name: {[(2R)-3,3-dimethyloxiran-2-yl]methyl}diethylamine
• Synonyms: (R)-N-((3,3-dimethyloxiran-2-yl)methyl)-N-ethylethanamine

Database IDs

• PubChem SID: 162107486
• PubChem CID: 968903

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.8078208
• LogD (pH = 7.4): -0.2662192
• Log P: 1.4422036
• Molar Refractivity: 47.287 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 15.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true