ChemSpider 2D Image | 4-Methyl-6-{[(3R,4R)-4-{[5-(2-pyridinyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-2-pyridinamine | C21H30N4O

4-Methyl-6-{[(3R,4R)-4-{[5-(2-pyridinyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-2-pyridinamine

  • Molecular FormulaC21H30N4O
  • Average mass354.489 Da
  • Monoisotopic mass354.241974 Da
  • ChemSpider ID35033849
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Pyridinamine, 4-methyl-6-[[(3R,4R)-4-[[5-(2-pyridinyl)pentyl]oxy]-3-pyrrolidinyl]methyl]- [ACD/Index Name]
4-Methyl-6-{[(3R,4R)-4-{[5-(2-pyridinyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-2-pyridinamin [German] [ACD/IUPAC Name]
4-Methyl-6-{[(3R,4R)-4-{[5-(2-pyridinyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-2-pyridinamine [ACD/IUPAC Name]
4-Méthyl-6-{[(3R,4R)-4-{[5-(2-pyridinyl)pentyl]oxy}-3-pyrrolidinyl]méthyl}-2-pyridinamine [French] [ACD/IUPAC Name]
4-Methyl-6-{[(3r,4r)-4-{[5-(Pyridin-2-Yl)pentyl]oxy}pyrrolidin-3-Yl]methyl}pyridin-2-Amine
HW8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 540.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.5±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.67
Polar Surface Area: 73 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 314.4±5.0 cm3

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