methyl[2-methyl-2-(morpholin-4-yl)propyl](4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amine

• ChemBase ID: 685602
• Molecular Formular: C17H30N4O
• Molecular Mass: 306.4463
• Monoisotopic Mass: 306.2419616
• SMILES: c1(n[nH]c2c1CCCC2)CN(CC(N1CCOCC1)(C)C)C
• Canonical SMILES: CN(CC(N1CCOCC1)(C)C)Cc1n[nH]c2c1CCCC2
• InChI: InChI=1S/C17H30N4O/c1-17(2,21-8-10-22-11-9-21)13-20(3)12-16-14-6-4-5-7-15(14)18-19-16/h4-13H2,1-3H3,(H,18,19)
• InChIKey: ITCLFEQHBUMHMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-methyl-2-(morpholin-4-yl)propyl](4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amine
• IUPAC Traditional name: methyl[2-methyl-2-(morpholin-4-yl)propyl](4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amine
• Synonyms: N,2-dimethyl-2-morpholin-4-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propan-1-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.422831
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.54502904
• LogD (pH = 7.4): 1.2416219
• Log P: 2.013942
• Molar Refractivity: 91.4302 cm^3
• Polarizability: 35.045155 Å^3
• Polar Surface Area: 44.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.95
• LOG S: -2.09
• Polar Surface Area: 44.39 Å^2
• Rotatable Bonds: 5