(butan-2-yl)[2-methyl-2-(morpholin-4-ylmethyl)propyl](pyridin-4-ylmethyl)amine

• ChemBase ID: 556302
• Molecular Formular: C19H33N3O
• Molecular Mass: 319.48482
• Monoisotopic Mass: 319.26236269
• SMILES: N(CC(CN1CCOCC1)(C)C)(Cc1ccncc1)C(CC)C
• Canonical SMILES: CCC(N(CC(CN1CCOCC1)(C)C)Cc1ccncc1)C
• InChI: InChI=1S/C19H33N3O/c1-5-17(2)22(14-18-6-8-20-9-7-18)16-19(3,4)15-21-10-12-23-13-11-21/h6-9,17H,5,10-16H2,1-4H3
• InChIKey: ZHQPHXIKECHBBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (butan-2-yl)[2-methyl-2-(morpholin-4-ylmethyl)propyl](pyridin-4-ylmethyl)amine
• IUPAC Traditional name: [2-methyl-2-(morpholin-4-ylmethyl)propyl](pyridin-4-ylmethyl)sec-butylamine
• Synonyms: N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)butan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1060799
• LogD (pH = 7.4): 0.35991612
• Log P: 2.8246546
• Molar Refractivity: 96.8535 cm^3
• Polarizability: 38.24649 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.27
• LOG S: -2.02
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 8