[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium

C16H27N2O+ — CID 3925

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
SMILESCC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C16H26N2O/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3/p+1
InChIKeyPYEBKOFMWAMBFV-UHFFFAOYSA-O
MW263.40 g/mol
LogP3.12
Rot. Bonds6

About [2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium

[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium (PubChem CID 3925) has the molecular formula C16H27N2O+ and a molecular weight of 263.40 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
PubChem CID3925
Molecular FormulaC16H27N2O+
Molecular Weight263.40 g/mol
Exact Mass263.21
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
SMILESCC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C16H26N2O/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3/p+1
InChIKeyPYEBKOFMWAMBFV-UHFFFAOYSA-O
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
CID 24832929
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-prop-2-enylazanium chloride
CID 21463
[2-(2,6-dimethylanilino)-2-oxoethyl]-dodecyl-diethylazanium
CID 10007182
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
CID 15487
[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
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-(4-acetyloxy-2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
CID 168796151
[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 [2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium (CID 3925) is [2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium is CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium?
The InChIKey is PYEBKOFMWAMBFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H26N2O/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3/p+1.
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium?
[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium has a molecular weight of 263.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium is sourced from PubChem (CID 3925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).