ChemSpider 2D Image | (2R)-N2-[2-(4-bicyclo[2.2.1]heptanyl)ethyl]-N1-[(2R,3R)-3-methyl-1-(methylamino)pentan-2-yl]hexane-1,2-diamine | C22H45N3

(2R)-N2-[2-(4-bicyclo[2.2.1]heptanyl)ethyl]-N1-[(2R,3R)-3-methyl-1-(methylamino)pentan-2-yl]hexane-1,2-diamine

  • Molecular FormulaC22H45N3
  • Average mass351.613 Da
  • Monoisotopic mass351.361359 Da
  • ChemSpider ID26401038

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(2R)-N2-[2-(Bicyclo[2.2.1]hept-1-yl)ethyl]-N1-[(2R,3R)-3-methyl-1-(methylamino)-2-pentanyl]-1,2-hexandiamin [German] [ACD/IUPAC Name]
(2R)-N2-[2-(Bicyclo[2.2.1]hept-1-yl)ethyl]-N1-[(2R,3R)-3-methyl-1-(methylamino)-2-pentanyl]-1,2-hexanediamine [ACD/IUPAC Name]
(2R)-N2-[2-(Bicyclo[2.2.1]hept-1-yl)éthyl]-N1-[(2R,3R)-3-méthyl-1-(méthylamino)-2-pentanyl]-1,2-hexanediamine [French] [ACD/IUPAC Name]
(2R)-N2-[2-(4-bicyclo[2.2.1]heptanyl)ethyl]-N1-[(2R,3R)-3-methyl-1-(methylamino)pentan-2-yl]hexane-1,2-diamine
1,2-Hexanediamine, N2-(2-bicyclo[2.2.1]hept-1-ylethyl)-N1-[(1R,2R)-2-methyl-1-[(methylamino)methyl]butyl]-, (2R)- [ACD/Index Name]
methyl-[(2R,3R)-3-methyl-2-[[(2R)-2-[2-(1-norbornyl)ethylamino]hexyl]amino]pentyl]amine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 380.2±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 176.0±14.1 °C
Index of Refraction: 1.494
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 36 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 379.7±3.0 cm3

Click to predict properties on the Chemicalize site


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