5,5-dimethyl-3-(morpholin-4-yl)cyclohex-2-en-1-imine

• ChemBase ID: 229561
• Molecular Formular: C12H20N2O
• Molecular Mass: 208.3
• Monoisotopic Mass: 208.15756327
• SMILES: C1(=CC(=N)CC(C1)(C)C)N1CCOCC1
• Canonical SMILES: N=C1C=C(CC(C1)(C)C)N1CCOCC1
• InChI: InChI=1S/C12H20N2O/c1-12(2)8-10(13)7-11(9-12)14-3-5-15-6-4-14/h7,13H,3-6,8-9H2,1-2H3
• InChIKey: NTIXHOXCCITANS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethyl-3-(morpholin-4-yl)cyclohex-2-en-1-imine
• IUPAC Traditional name: 5,5-dimethyl-3-(morpholin-4-yl)cyclohex-2-en-1-imine
• Synonyms: 5,5-Dimethyl-3-morpholin-4-yl-cyclohex-2-enylideneamine

Database IDs

• MDL Number: MFCD02704034
• PubChem SID: 164285471
• PubChem CID: 3687252

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.196245
• LogD (pH = 7.4): -2.1746142
• Log P: 1.2189381
• Molar Refractivity: 73.684 cm^3
• Polarizability: 23.686468 Å^3
• Polar Surface Area: 36.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%