[1-(1H-imidazol-1-yl)propan-2-yl]({[1-(morpholin-4-yl)cyclohexyl]methyl})amine

• ChemBase ID: 761703
• Molecular Formular: C17H30N4O
• Molecular Mass: 306.4463
• Monoisotopic Mass: 306.2419616
• SMILES: N1(C2(CNC(Cn3cncc3)C)CCCCC2)CCOCC1
• Canonical SMILES: CC(Cn1cncc1)NCC1(CCCCC1)N1CCOCC1
• InChI: InChI=1S/C17H30N4O/c1-16(13-20-8-7-18-15-20)19-14-17(5-3-2-4-6-17)21-9-11-22-12-10-21/h7-8,15-16,19H,2-6,9-14H2,1H3
• InChIKey: SXFAXHMPAVPNLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1H-imidazol-1-yl)propan-2-yl]({[1-(morpholin-4-yl)cyclohexyl]methyl})amine
• IUPAC Traditional name: [1-(imidazol-1-yl)propan-2-yl]({[1-(morpholin-4-yl)cyclohexyl]methyl})amine
• Synonyms: 1-(1H-imidazol-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4743543
• LogD (pH = 7.4): -0.96105033
• Log P: 1.6538068
• Molar Refractivity: 89.0501 cm^3
• Polarizability: 35.131733 Å^3
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.23
• LOG S: -2.33
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 6