N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine

• ChemBase ID: 271318
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: N1(c2nnc(cc2)C)CC(NC)CCC1
• Canonical SMILES: CNC1CCCN(C1)c1ccc(nn1)C
• InChI: InChI=1S/C11H18N4/c1-9-5-6-11(14-13-9)15-7-3-4-10(8-15)12-2/h5-6,10,12H,3-4,7-8H2,1-2H3
• InChIKey: ZWENPHPRDSITGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine
• IUPAC Traditional name: N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine
• Synonyms: N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine

Database IDs

• MDL Number: MFCD16789072
• PubChem SID: 164327228
• PubChem CID: 54592582

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.495896
• LogD (pH = 7.4): -1.525351
• Log P: 0.7108361
• Molar Refractivity: 63.0336 cm^3
• Polarizability: 23.292528 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.609

Product Information

• Purity: 95%