2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide

C16H26N4 — CID 81054741

IUPAC2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)C2CCCC(C)C2)cc(C)nc1C
InChIInChI=1S/C16H26N4/c1-10-6-5-7-13(8-10)20(4)14-9-11(2)19-12(3)15(14)16(17)18/h9-10,13H,5-8H2,1-4H3,(H3,17,18)
InChIKeyZDZHGSFAVNQFLO-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.00
Rot. Bonds3

About 2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide

2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide (PubChem CID 81054741) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide
PubChem CID81054741
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)C2CCCC(C)C2)cc(C)nc1C
InChIInChI=1S/C16H26N4/c1-10-6-5-7-13(8-10)20(4)14-9-11(2)19-12(3)15(14)16(17)18/h9-10,13H,5-8H2,1-4H3,(H3,17,18)
InChIKeyZDZHGSFAVNQFLO-UHFFFAOYSA-N
XLogP3.00
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide (CID 81054741) is 2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(C)C2CCCC(C)C2)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide?
The InChIKey is ZDZHGSFAVNQFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-10-6-5-7-13(8-10)20(4)14-9-11(2)19-12(3)15(14)16(17)18/h9-10,13H,5-8H2,1-4H3,(H3,17,18).
What are the key properties of 2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide?
2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide has a molecular weight of 274.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 81054741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).