N-{2-[(1-methoxypropan-2-yl)amino]ethyl}pyridin-3-amine

• ChemBase ID: 396523
• Molecular Formular: C11H19N3O
• Molecular Mass: 209.28806
• Monoisotopic Mass: 209.15281224
• SMILES: n1cc(NCCNC(COC)C)ccc1
• Canonical SMILES: COCC(NCCNc1cccnc1)C
• InChI: InChI=1S/C11H19N3O/c1-10(9-15-2)13-6-7-14-11-4-3-5-12-8-11/h3-5,8,10,13-14H,6-7,9H2,1-2H3
• InChIKey: KUUTUFJZXAHFEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(1-methoxypropan-2-yl)amino]ethyl}pyridin-3-amine
• IUPAC Traditional name: N-{2-[(1-methoxypropan-2-yl)amino]ethyl}pyridin-3-amine
• Synonyms: N-(2-methoxy-1-methylethyl)-N'-pyridin-3-ylethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.083709
• LogD (pH = 7.4): -1.425159
• Log P: 0.23354761
• Molar Refractivity: 62.2816 cm^3
• Polarizability: 23.836718 Å^3
• Polar Surface Area: 46.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.19
• LOG S: -0.74
• Polar Surface Area: 46.18 Å^2
• Rotatable Bonds: 7