(2-methoxyethyl)(2-methylpropyl)amine

• ChemBase ID: 255636
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: N(CC(C)C)CCOC
• Canonical SMILES: COCCNCC(C)C
• InChI: InChI=1S/C7H17NO/c1-7(2)6-8-4-5-9-3/h7-8H,4-6H2,1-3H3
• InChIKey: CUVKEYZZIXTRKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(2-methylpropyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(2-methylpropyl)amine
• Synonyms: N-(2-methoxyethyl)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD09971623
• PubChem SID: 164311546
• PubChem CID: 19107595

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.216715
• LogD (pH = 7.4): -1.5474392
• Log P: 1.0044492
• Molar Refractivity: 39.4811 cm^3
• Polarizability: 15.844791 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.089

Product Information

• Purity: 95%