8C2

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine

Created:2021-09-14
Last modified:  2021-09-22

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count37
Aromatic Bond Count5
2D diagram of 8C2

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Chemical Component Summary

NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine
Systematic Name (OpenEye OEToolkits)~{N}-[(3,5-dimethyl-1~{H}-pyrazol-4-yl)methyl]cyclohexanamine
FormulaC12 H21 N3
Molecular Weight207.315
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1n[NH]c(C)c1CNC1CCCCC1
SMILESCACTVS3.385Cc1[nH]nc(C)c1CNC2CCCCC2
SMILESOpenEye OEToolkits2.0.7Cc1c(c(n[nH]1)C)CNC2CCCCC2
Canonical SMILESCACTVS3.385 Cc1[nH]nc(C)c1CNC2CCCCC2
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c(c(n[nH]1)C)CNC2CCCCC2
InChIInChI1.03 InChI=1S/C12H21N3/c1-9-12(10(2)15-14-9)8-13-11-6-4-3-5-7-11/h11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyInChI1.03 CUPRVIDJDATUMO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 43644734