3-ethyl-3-methylmorpholine

• ChemBase ID: 239251
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1C(COCC1)(CC)C
• Canonical SMILES: CC1(CC)COCCN1
• InChI: InChI=1S/C7H15NO/c1-3-7(2)6-9-5-4-8-7/h8H,3-6H2,1-2H3
• InChIKey: XESSAGYMZVFWNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-3-methylmorpholine
• IUPAC Traditional name: 3-ethyl-3-methylmorpholine
• Synonyms: 3-ethyl-3-methylmorpholine

Database IDs

• MDL Number: MFCD09722899
• PubChem SID: 164295161
• PubChem CID: 22689124

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1662304
• LogD (pH = 7.4): -0.61329514
• Log P: 0.8082952
• Molar Refractivity: 37.3489 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.159

Product Information

• Purity: 95%