4-[6-(morpholin-4-yl)hexa-2,4-diyn-1-yl]morpholine

• ChemBase ID: 107611
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: C1CN(CCO1)CC#CC#CCN1CCOCC1
• Canonical SMILES: O1CCN(CC1)CC#CC#CCN1CCOCC1
• InChI: InChI=1S/C14H20N2O2/c1(3-5-15-7-11-17-12-8-15)2-4-6-16-9-13-18-14-10-16/h5-14H2
• InChIKey: ZNXWKPCOJLBLFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(morpholin-4-yl)hexa-2,4-diyn-1-yl]morpholine
• IUPAC Traditional name: 4-[6-(morpholin-4-yl)hexa-2,4-diyn-1-yl]morpholine
• Synonyms: 1,6-DI-N,N'-MORPHOLINYL-2,4-HEXADIYNE

Database IDs

• PubChem SID: 162106059
• PubChem CID: 246674

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.099297196
• LogD (pH = 7.4): 0.70155585
• Log P: 0.7195011
• Molar Refractivity: 73.283 cm^3
• Polarizability: 27.300852 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204332

MP Biomedicals Rare Chemical collection