2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

C16H25N3O2 — CID 114341169

IUPAC2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(/C(N)=N/O)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H25N3O2/c1-10-9-11(2)18-15(13(10)14(17)19-20)21-12-5-7-16(3,4)8-6-12/h9,12,20H,5-8H2,1-4H3,(H2,17,19)
InChIKeyBVQWHWNRNVRYNP-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.14
Rot. Bonds3

About 2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 114341169) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID114341169
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(/C(N)=N/O)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H25N3O2/c1-10-9-11(2)18-15(13(10)14(17)19-20)21-12-5-7-16(3,4)8-6-12/h9,12,20H,5-8H2,1-4H3,(H2,17,19)
InChIKeyBVQWHWNRNVRYNP-UHFFFAOYSA-N
XLogP3.14
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 114341169) is 2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is Cc1cc(C)c(/C(N)=N/O)c(OC2CCC(C)(C)CC2)n1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is BVQWHWNRNVRYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-9-11(2)18-15(13(10)14(17)19-20)21-12-5-7-16(3,4)8-6-12/h9,12,20H,5-8H2,1-4H3,(H2,17,19).
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 291.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 114341169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).