4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide

C14H24N4 — CID 81054878

IUPAC4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)CCCC)cc(C)nc1C
InChIInChI=1S/C14H24N4/c1-5-7-8-18(6-2)12-9-10(3)17-11(4)13(12)14(15)16/h9H,5-8H2,1-4H3,(H3,15,16)
InChIKeyROWNIDGFEXOIJM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.61
Rot. Bonds6

About 4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide

4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81054878) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81054878
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)CCCC)cc(C)nc1C
InChIInChI=1S/C14H24N4/c1-5-7-8-18(6-2)12-9-10(3)17-11(4)13(12)14(15)16/h9H,5-8H2,1-4H3,(H3,15,16)
InChIKeyROWNIDGFEXOIJM-UHFFFAOYSA-N
XLogP2.61
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053977
2,6-dimethyl-4-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 81054323
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054399
2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 81037767
4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 102993405
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81055757
2-(dibutylamino)-6-methylpyrimidine-4-carboximidamide
CID 107550121
2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide
CID 81054324
4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 54933264
2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide
CID 55234106
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054890
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 105415016

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide (CID 81054878) is 4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(CC)CCCC)cc(C)nc1C.
What is the InChIKey of 4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is ROWNIDGFEXOIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-7-8-18(6-2)12-9-10(3)17-11(4)13(12)14(15)16/h9H,5-8H2,1-4H3,(H3,15,16).
What are the key properties of 4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 248.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81054878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).