8C2

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

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

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2 entries where 8C2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	5

2D diagram of 8C2

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Chemical Component Summary
Name	N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine
Systematic Name (OpenEye OEToolkits)	~{N}-[(3,5-dimethyl-1~{H}-pyrazol-4-yl)methyl]cyclohexanamine
Formula	C₁₂ H₂₁ N₃
Molecular Weight	207.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1n[NH]c(C)c1CNC1CCCCC1
SMILES	CACTVS	3.385	Cc1[nH]nc(C)c1CNC2CCCCC2
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(n[nH]1)C)CNC2CCCCC2
Canonical SMILES	CACTVS	3.385	Cc1[nH]nc(C)c1CNC2CCCCC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(n[nH]1)C)CNC2CCCCC2
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	CUPRVIDJDATUMO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	43644734

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