bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride

C24H34ClN3O2 — CID 24832929

IUPACbis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
SMILESCC[N+](CC)(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C.[Cl-]
InChIInChI=1S/C24H33N3O2.ClH/c1-7-27(8-2,15-21(28)25-23-17(3)11-9-12-18(23)4)16-22(29)26-24-19(5)13-10-14-20(24)6;/h9-14H,7-8,15-16H2,1-6H3,(H-,25,26,28,29);1H
InChIKeyMNMKAKNWOLULCA-UHFFFAOYSA-N
MW432.01 g/mol
LogP1.36
Rot. Bonds8

About bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride

bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride (PubChem CID 24832929) has the molecular formula C24H34ClN3O2 and a molecular weight of 432.01 g/mol. Its IUPAC name is bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride.

Molecular Properties

Compound Namebis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
PubChem CID24832929
Molecular FormulaC24H34ClN3O2
Molecular Weight432.01 g/mol
Exact Mass431.23
IUPAC Namebis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
SMILESCC[N+](CC)(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C.[Cl-]
InChIInChI=1S/C24H33N3O2.ClH/c1-7-27(8-2,15-21(28)25-23-17(3)11-9-12-18(23)4)16-22(29)26-24-19(5)13-10-14-20(24)6;/h9-14H,7-8,15-16H2,1-6H3,(H-,25,26,28,29);1H
InChIKeyMNMKAKNWOLULCA-UHFFFAOYSA-N
XLogP1.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
CID 3925
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-prop-2-enylazanium chloride
CID 21463
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
CID 15487
[2-(2,6-dimethylanilino)-2-oxoethyl]-dodecyl-diethylazanium
CID 10007182
[4-(aminomethyl)phenyl]methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
CID 155694476
[2-(2,6-dimethylanilino)-2-oxoethyl]-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]heptyl]-ethyl-propylazanium
CID 139406965
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-ethyl-methylazanium chloride
CID 87461534
2-decoxycarbonyloxyethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
CID 130180537
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-(2-nonoxycarbonyloxyethyl)azanium
CID 130180090
[2-(2,6-dimethylanilino)-2-oxoethyl]-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]butyl]-diethylazanium
CID 139405008
7-[butyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]heptyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
CID 139404927
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-[[4-(1-methoxy-1-oxopropan-2-yl)phenyl]methyl]azanium bromide
CID 134249035

Frequently Asked Questions

What is the IUPAC name of bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride?
The IUPAC name of bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride (CID 24832929) is bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride.
What is the SMILES notation for bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride?
The canonical SMILES for bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride is CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C.[Cl-].
What is the InChIKey of bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride?
The InChIKey is MNMKAKNWOLULCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2.ClH/c1-7-27(8-2,15-21(28)25-23-17(3)11-9-12-18(23)4)16-22(29)26-24-19(5)13-10-14-20(24)6;/h9-14H,7-8,15-16H2,1-6H3,(H-,25,26,28,29);1H.
What are the key properties of bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride?
bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride has a molecular weight of 432.01 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride is sourced from PubChem (CID 24832929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).