4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide

C13H19N3O — CID 62924444

IUPAC4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(OC2CCCCC2C)ccn1
InChIInChI=1S/C13H19N3O/c1-9-4-2-3-5-12(9)17-10-6-7-16-11(8-10)13(14)15/h6-9,12H,2-5H2,1H3,(H3,14,15)
InChIKeyNCRIHXRCYPCFOU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds3

About 4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide

4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide (PubChem CID 62924444) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
PubChem CID62924444
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(OC2CCCCC2C)ccn1
InChIInChI=1S/C13H19N3O/c1-9-4-2-3-5-12(9)17-10-6-7-16-11(8-10)13(14)15/h6-9,12H,2-5H2,1H3,(H3,14,15)
InChIKeyNCRIHXRCYPCFOU-UHFFFAOYSA-N
XLogP2.32
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
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 4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide?
The IUPAC name of 4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide (CID 62924444) is 4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide.
What is the SMILES notation for 4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide?
The canonical SMILES for 4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide is [H]/N=C(\N)c1cc(OC2CCCCC2C)ccn1.
What is the InChIKey of 4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide?
The InChIKey is NCRIHXRCYPCFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-4-2-3-5-12(9)17-10-6-7-16-11(8-10)13(14)15/h6-9,12H,2-5H2,1H3,(H3,14,15).
What are the key properties of 4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide?
4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide has a molecular weight of 233.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide is sourced from PubChem (CID 62924444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).