Found 1 result

Search term: N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE | C23H31N7

2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE

  • Molecular FormulaC23H31N7
  • Average mass405.539 Da
  • Monoisotopic mass405.264099 Da
  • ChemSpider ID16744044

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
9H-Purine-2,6-diamine, N2-(trans-4-aminocyclohexyl)-9-cyclopentyl-N6-(phenylmethyl)- [ACD/Index Name]
N2-(trans-4-Aminocyclohexyl)-N6-benzyl-9-cyclopentyl-9H-purin-2,6-diamin [German] [ACD/IUPAC Name]
N2-(trans-4-Aminocyclohexyl)-N6-benzyl-9-cyclopentyl-9H-purine-2,6-diamine [ACD/IUPAC Name]
N2-(trans-4-Aminocyclohexyl)-N6-benzyl-9-cyclopentyl-9H-purine-2,6-diamine [French] [ACD/IUPAC Name]
220792-00-7 [RN]
6-N-benzyl-9-cyclopentyl-2-N-[(1r,4r)-4-aminocyclohexyl]-9H-purine-2,6-diamine
H717
HHG
I17
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.1±34.3 °C
Index of Refraction: 1.736
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.63
Polar Surface Area: 94 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 291.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement