2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide

C13H22N4O — CID 81055007

IUPAC2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N(C)CCOCC
InChIInChI=1S/C13H22N4O/c1-5-18-7-6-17(4)13-11(12(14)15)9(2)8-10(3)16-13/h8H,5-7H2,1-4H3,(H3,14,15)
InChIKeyNZYKIEPHJRMFRJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.46
Rot. Bonds6

About 2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide

2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 81055007) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide
PubChem CID81055007
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N(C)CCOCC
InChIInChI=1S/C13H22N4O/c1-5-18-7-6-17(4)13-11(12(14)15)9(2)8-10(3)16-13/h8H,5-7H2,1-4H3,(H3,14,15)
InChIKeyNZYKIEPHJRMFRJ-UHFFFAOYSA-N
XLogP1.46
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.46
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

4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81055757
4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide
CID 79849915
2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118
2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 61424883
3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
CID 81056507
4,6-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 61175593
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide
CID 61442720
2-(2-methoxyethylamino)-4,6-dimethylpyridine-3-carboximidamide
CID 62543498
2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562382
2-(2-ethoxyethoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550869
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303694
2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide
CID 62984137

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide (CID 81055007) is 2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1N(C)CCOCC.
What is the InChIKey of 2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is NZYKIEPHJRMFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-18-7-6-17(4)13-11(12(14)15)9(2)8-10(3)16-13/h8H,5-7H2,1-4H3,(H3,14,15).
What are the key properties of 2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide?
2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 250.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81055007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).