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

C16H27N3O2 — CID 61176560

IUPAC2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCCCCC(CC)COc1nc(C)cc(C)c1C(N)=NO
InChIInChI=1S/C16H27N3O2/c1-5-7-8-13(6-2)10-21-16-14(15(17)19-20)11(3)9-12(4)18-16/h9,13,20H,5-8,10H2,1-4H3,(H2,17,19)
InChIKeyHGZIKOTXQXUIOU-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.39
Rot. Bonds8

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

2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61176560) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61176560
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCCCCC(CC)COc1nc(C)cc(C)c1C(N)=NO
InChIInChI=1S/C16H27N3O2/c1-5-7-8-13(6-2)10-21-16-14(15(17)19-20)11(3)9-12(4)18-16/h9,13,20H,5-8,10H2,1-4H3,(H2,17,19)
InChIKeyHGZIKOTXQXUIOU-UHFFFAOYSA-N
XLogP3.39
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.39
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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Related Compounds

3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
CID 55200147
4-(2-ethylhexoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277300
N'-hydroxy-2-(1-methoxypropan-2-yloxy)-4,6-dimethylpyridine-3-carboximidamide
CID 77015874
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562174
2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930160
4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 76917560
2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid
CID 63514366
3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide
CID 82798762
[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine
CID 81050477
6-(2-ethylhexoxy)-3,5-difluoropyridin-2-amine
CID 114072964
N'-hydroxy-4,6-dimethyl-2-[methyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 61176932
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61228172

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 61176560) is 2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is CCCCC(CC)COc1nc(C)cc(C)c1C(N)=NO.
What is the InChIKey of 2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is HGZIKOTXQXUIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-7-8-13(6-2)10-21-16-14(15(17)19-20)11(3)9-12(4)18-16/h9,13,20H,5-8,10H2,1-4H3,(H2,17,19).
What are the key properties of 2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 293.41 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61176560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).