ChemSpider 2D Image | 6-[5-({(3R,4R)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}oxy)pentyl]-4-methyl-2-pyridinamine | C22H33N5O

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

  • Molecular FormulaC22H33N5O
  • Average mass383.530 Da
  • Monoisotopic mass383.268524 Da
  • ChemSpider ID35033844
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Pyridinamine, 6-[5-[[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl]oxy]pentyl]-4-methyl- [ACD/Index Name]
6-[5-({(3R,4R)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}oxy)pentyl]-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-[5-({(3R,4R)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}oxy)pentyl]-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-[5-({(3R,4R)-4-[(6-Amino-4-méthyl-2-pyridinyl)méthyl]-3-pyrrolidinyl}oxy)pentyl]-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-[5-({(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}oxy)pentyl]-4-Methylpyridin-2-Amine
HW1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.80
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.71
Polar Surface Area: 99 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 333.1±5.0 cm3

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