(2,2-dimethoxyethyl)(2-methylpropyl)amine

• ChemBase ID: 241110
• Molecular Formular: C8H19NO2
• Molecular Mass: 161.24196
• Monoisotopic Mass: 161.14157885
• SMILES: N(CC(OC)OC)CC(C)C
• Canonical SMILES: COC(CNCC(C)C)OC
• InChI: InChI=1S/C8H19NO2/c1-7(2)5-9-6-8(10-3)11-4/h7-9H,5-6H2,1-4H3
• InChIKey: UJPXEIBEGRZNJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethoxyethyl)(2-methylpropyl)amine
• IUPAC Traditional name: (2,2-dimethoxyethyl)(2-methylpropyl)amine
• Synonyms: (2,2-dimethoxyethyl)(2-methylpropyl)amine

Database IDs

• MDL Number: MFCD12148438
• PubChem SID: 164297020
• PubChem CID: 58168465

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8602072
• LogD (pH = 7.4): -0.6367567
• Log P: 1.2833518
• Molar Refractivity: 45.2622 cm^3
• Polarizability: 18.374706 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.903

Product Information

• Purity: 95%