NPP

N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge-1
Atom Count55
Chiral Atom Count0
Bond Count56
Aromatic Bond Count6
2D diagram of NPP
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Chemical Component Summary

NameN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE
Systematic Name (OpenEye OEToolkits)N-(2-aminoethyl)-4,6-dinitro-N'-(2,2,6,6-tetramethyl-1-oxido-piperidin-4-yl)benzene-1,3-diamine
FormulaC17 H27 N6 O5
Molecular Weight395.433
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-]N2C(CC(Nc1cc(NCCN)c([N+]([O-])=O)cc1[N+]([O-])=O)CC2(C)C)(C)C
SMILESCACTVS3.341CC1(C)CC(CC(C)(C)N1[O-])Nc2cc(NCCN)c(cc2[N+]([O-])=O)[N+]([O-])=O
SMILESOpenEye OEToolkits1.5.0CC1(CC(CC(N1[O-])(C)C)Nc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C
Canonical SMILESCACTVS3.341 CC1(C)CC(CC(C)(C)N1[O-])Nc2cc(NCCN)c(cc2[N+]([O-])=O)[N+]([O-])=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC1(CC(CC(N1[O-])(C)C)Nc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C
InChIInChI1.03 InChI=1S/C17H27N6O5/c1-16(2)9-11(10-17(3,4)23(16)28)20-13-7-12(19-6-5-18)14(21(24)25)8-15(13)22(26)27/h7-8,11,19-20H,5-6,9-10,18H2,1-4H3/q-1
InChIKeyInChI1.03 FOFORQYTEPGQOY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 3259831