ChemSpider 2D Image | 6-{[(3R,4R)-4-{[5-(6-Amino-2-pyridinyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine | C21H31N5O

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

  • Molecular FormulaC21H31N5O
  • Average mass369.504 Da
  • Monoisotopic mass369.252869 Da
  • ChemSpider ID35033843

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinamine, 6-[[(3R,4R)-4-[[5-(6-amino-2-pyridinyl)pentyl]oxy]-3-pyrrolidinyl]methyl]-4-methyl- [ACD/Index Name]
6-{[(3R,4R)-4-{[5-(6-Amino-2-pyridinyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-{[(3R,4R)-4-{[5-(6-Amino-2-pyridinyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-{[(3R,4R)-4-{[5-(6-Amino-2-pyridinyl)pentyl]oxy}-3-pyrrolidinyl]méthyl}-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-{[(3r,4r)-4-{[5-(6-Aminopyridin-2-Yl)pentyl]oxy}pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
HW0

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 585.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.6±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.42
Polar Surface Area: 99 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 317.4±5.0 cm3

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