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

• ChemBase ID: 622158
• Molecular Formular: C12H22N4O
• Molecular Mass: 238.32928
• Monoisotopic Mass: 238.17936134
• SMILES: c1(n(ccn1)C(C)C)CN1CC(OCC1)CN
• Canonical SMILES: NCC1OCCN(C1)Cc1nccn1C(C)C
• InChI: InChI=1S/C12H22N4O/c1-10(2)16-4-3-14-12(16)9-15-5-6-17-11(7-13)8-15/h3-4,10-11H,5-9,13H2,1-2H3
• InChIKey: YVEJDJCOZZJYFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-{[1-(propan-2-yl)-1H-imidazol-2-yl]methyl}morpholin-2-yl)methanamine
• IUPAC Traditional name: {4-[(1-isopropylimidazol-2-yl)methyl]morpholin-2-yl}methanamine
• Synonyms: ({4-[(1-isopropyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.6131573
• LogD (pH = 7.4): -2.1110728
• Log P: -0.08931913
• Molar Refractivity: 67.6411 cm^3
• Polarizability: 26.648525 Å^3
• Polar Surface Area: 56.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.01
• LOG S: 0.08
• Polar Surface Area: 56.31 Å^2
• Rotatable Bonds: 4