methoxy[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methylidene]amine

• ChemBase ID: 128406
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: N(=C\C1=CCCN(C)C1)/OC
• Canonical SMILES: CO/N=C/C1=CCCN(C1)C
• InChI: InChI=1S/C8H14N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,6H,3,5,7H2,1-2H3
• InChIKey: YMMXHEYLRHNXAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methoxy[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methylidene]amine
• IUPAC Traditional name: methoxy[(1-methyl-5,6-dihydro-2H-pyridin-3-yl)methylidene]amine
• Synonyms: Milameline

Database IDs

• CAS Number: 139886-32-1
• PubChem SID: 162222713
• PubChem CID: 9571002
• Chemspider ID: 7845468
• Unique Ingredient Identifier: R9X77R42FN
• Wikipedia Title: Milameline

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.4681435
• LogD (pH = 7.4): -0.73723716
• Log P: 0.49839953
• Molar Refractivity: 46.4705 cm^3
• Polarizability: 17.439274 Å^3
• Polar Surface Area: 24.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true