methyl[3-(1-methyl-1H-imidazol-2-yl)propyl][2-methyl-2-(morpholin-4-yl)propyl]amine

• ChemBase ID: 669681
• Molecular Formular: C16H30N4O
• Molecular Mass: 294.4356
• Monoisotopic Mass: 294.2419616
• SMILES: n1(c(ncc1)CCCN(CC(N1CCOCC1)(C)C)C)C
• Canonical SMILES: CN(CC(N1CCOCC1)(C)C)CCCc1nccn1C
• InChI: InChI=1S/C16H30N4O/c1-16(2,20-10-12-21-13-11-20)14-18(3)8-5-6-15-17-7-9-19(15)4/h7,9H,5-6,8,10-14H2,1-4H3
• InChIKey: ZYDVKDIEVDODOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(1-methyl-1H-imidazol-2-yl)propyl][2-methyl-2-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: methyl[2-methyl-2-(morpholin-4-yl)propyl][3-(1-methylimidazol-2-yl)propyl]amine
• Synonyms: N,2-dimethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-2-morpholin-4-ylpropan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.2812061
• LogD (pH = 7.4): -1.5450495
• Log P: 1.1159848
• Molar Refractivity: 87.3842 cm^3
• Polarizability: 33.941242 Å^3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.7
• LOG S: -0.94
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 7