N,2,2-trimethyl-N-{[1-(propan-2-yl)-1H-imidazol-5-yl]methyl}oxan-4-amine

• ChemBase ID: 697019
• Molecular Formular: C15H27N3O
• Molecular Mass: 265.39438
• Monoisotopic Mass: 265.2154125
• SMILES: c1(n(cnc1)C(C)C)CN(C1CC(OCC1)(C)C)C
• Canonical SMILES: CN(C1CCOC(C1)(C)C)Cc1cncn1C(C)C
• InChI: InChI=1S/C15H27N3O/c1-12(2)18-11-16-9-14(18)10-17(5)13-6-7-19-15(3,4)8-13/h9,11-13H,6-8,10H2,1-5H3
• InChIKey: AZCZNLFGLIURJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,2-trimethyl-N-{[1-(propan-2-yl)-1H-imidazol-5-yl]methyl}oxan-4-amine
• IUPAC Traditional name: N-[(3-isopropylimidazol-4-yl)methyl]-N,2,2-trimethyloxan-4-amine
• Synonyms: (2,2-dimethyltetrahydro-2H-pyran-4-yl)[(1-isopropyl-1H-imidazol-5-yl)methyl]methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.429566
• LogD (pH = 7.4): 0.14700681
• Log P: 1.3715705
• Molar Refractivity: 79.0296 cm^3
• Polarizability: 30.647024 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.62
• LOG S: -1.51
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 4