2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide

C12H19N3O2 — CID 61177118

IUPAC2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCCOCC
InChIInChI=1S/C12H19N3O2/c1-4-16-5-6-17-12-10(11(13)14)8(2)7-9(3)15-12/h7H,4-6H2,1-3H3,(H3,13,14)
InChIKeyYTBBAFDRWLBOEY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.40
Rot. Bonds6

About 2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide

2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61177118) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61177118
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCCOCC
InChIInChI=1S/C12H19N3O2/c1-4-16-5-6-17-12-10(11(13)14)8(2)7-9(3)15-12/h7H,4-6H2,1-3H3,(H3,13,14)
InChIKeyYTBBAFDRWLBOEY-UHFFFAOYSA-N
XLogP1.40
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562382
4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
CID 61175204
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 61177313
2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 106202063
2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 81055007
2-(2-ethoxyethoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550869
2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 82824229
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175403
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide
CID 61176731
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562174

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide (CID 61177118) is 2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1OCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is YTBBAFDRWLBOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-16-5-6-17-12-10(11(13)14)8(2)7-9(3)15-12/h7H,4-6H2,1-3H3,(H3,13,14).
What are the key properties of 2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide?
2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 237.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61177118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).