ChemSpider 2D Image | N,N-Dimethyl-5-{[(1S,5R)-6-(3-methyl-2-buten-1-yl)-3,6-diazabicyclo[3.2.2]non-3-yl]methyl}-2-pyridinamine | C20H32N4

N,N-Dimethyl-5-{[(1S,5R)-6-(3-methyl-2-buten-1-yl)-3,6-diazabicyclo[3.2.2]non-3-yl]methyl}-2-pyridinamine

  • Molecular FormulaC20H32N4
  • Average mass328.495 Da
  • Monoisotopic mass328.262695 Da
  • ChemSpider ID29479014

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinamine, N,N-dimethyl-5-[[(1S,5R)-6-(3-methyl-2-buten-1-yl)-3,6-diazabicyclo[3.2.2]non-3-yl]methyl]- [ACD/Index Name]
N,N-Dimethyl-5-{[(1S,5R)-6-(3-methyl-2-buten-1-yl)-3,6-diazabicyclo[3.2.2]non-3-yl]methyl}-2-pyridinamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-5-{[(1S,5R)-6-(3-methyl-2-buten-1-yl)-3,6-diazabicyclo[3.2.2]non-3-yl]methyl}-2-pyridinamine [ACD/IUPAC Name]
N,N-Diméthyl-5-{[(1S,5R)-6-(3-méthyl-2-butén-1-yl)-3,6-diazabicyclo[3.2.2]non-3-yl]méthyl}-2-pyridinamine [French] [ACD/IUPAC Name]
N,N-dimethyl-5-{[(1S*,5R*)-6-(3-methylbut-2-en-1-yl)-3,6-diazabicyclo[3.2.2]non-3-yl]methyl}pyridin-2-amine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 448.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 225.2±27.3 °C
Index of Refraction: 1.567
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 11.65
ACD/KOC (pH 7.4): 110.34
Polar Surface Area: 23 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 312.8±3.0 cm3

Click to predict properties on the Chemicalize site


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