diethyl[4-(2-methoxyethoxy)but-2-yn-1-yl]amine

• ChemBase ID: 83351
• Molecular Formular: C11H21NO2
• Molecular Mass: 199.28994
• Monoisotopic Mass: 199.15722892
• SMILES: N(CC#CCOCCOC)(CC)CC
• Canonical SMILES: COCCOCC#CCN(CC)CC
• InChI: InChI=1S/C11H21NO2/c1-4-12(5-2)8-6-7-9-14-11-10-13-3/h4-5,8-11H2,1-3H3
• InChIKey: JSFWCTWMWPSJBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[4-(2-methoxyethoxy)but-2-yn-1-yl]amine
• IUPAC Traditional name: diethyl[4-(2-methoxyethoxy)but-2-yn-1-yl]amine
• Synonyms: N1,N1-diethyl-4-(2-methoxyethoxy)but-2-yn-1-amine

Database IDs

• MDL Number: MFCD00662875
• PubChem SID: 162070469
• PubChem CID: 2780146

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.7861186
• LogD (pH = 7.4): -0.101461306
• Log P: 1.2836784
• Molar Refractivity: 60.1357 cm^3
• Polarizability: 22.80188 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true