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

C13H22N4O — CID 81055757

IUPAC4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CCOCC)cc(C)nc1C
InChIInChI=1S/C13H22N4O/c1-5-18-7-6-17(4)11-8-9(2)16-10(3)12(11)13(14)15/h8H,5-7H2,1-4H3,(H3,14,15)
InChIKeyVHXSVDHHVIGSAK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.46
Rot. Bonds6

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

4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81055757) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81055757
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CCOCC)cc(C)nc1C
InChIInChI=1S/C13H22N4O/c1-5-18-7-6-17(4)11-8-9(2)16-10(3)12(11)13(14)15/h8H,5-7H2,1-4H3,(H3,14,15)
InChIKeyVHXSVDHHVIGSAK-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

2,6-dimethyl-4-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 81054323
2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 81055007
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81075122
2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide
CID 81054324
2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide
CID 81038338
4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053977
4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054878
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 105415016
4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81036488
2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide
CID 81054743
2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 81037767
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303694

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide (CID 81055757) is 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(C)CCOCC)cc(C)nc1C.
What is the InChIKey of 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is VHXSVDHHVIGSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-18-7-6-17(4)11-8-9(2)16-10(3)12(11)13(14)15/h8H,5-7H2,1-4H3,(H3,14,15).
What are the key properties of 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
4-[2-ethoxyethyl(methyl)amino]-2,6-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 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81055757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).