methyl 2-methylbutanecarboximidate

• ChemBase ID: 284220
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C(=N)(C(CC)C)OC
• Canonical SMILES: CCC(C(=N)OC)C
• InChI: InChI=1S/C6H13NO/c1-4-5(2)6(7)8-3/h5,7H,4H2,1-3H3
• InChIKey: PXBHHCIQWIFYSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-methylbutanecarboximidate
• IUPAC Traditional name: methyl 2-methylbutanecarboximidate
• Synonyms: methyl 2-methylbutanecarboximidate

Database IDs

• MDL Number: MFCD16706913
• PubChem SID: 180669751
• PubChem CID: 62315064

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.28197882
• LogD (pH = 7.4): 1.2997565
• Log P: 1.5902339
• Molar Refractivity: 43.9561 cm^3
• Polarizability: 13.198689 Å^3
• Polar Surface Area: 33.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.254

Product Information

• Purity: 95%