2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium

C16H22N+ — CID 163833451

IUPAC2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium
SMILESCCc1ccc(C2C=CC=C[N+]2(C)C)c(C)c1
InChIInChI=1S/C16H22N/c1-5-14-9-10-15(13(2)12-14)16-8-6-7-11-17(16,3)4/h6-12,16H,5H2,1-4H3/q+1
InChIKeyQJYBFJJUEUGECA-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.76
Rot. Bonds2

About 2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium

2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium (PubChem CID 163833451) has the molecular formula C16H22N+ and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium.

Molecular Properties

Compound Name2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium
PubChem CID163833451
Molecular FormulaC16H22N+
Molecular Weight228.36 g/mol
Exact Mass228.17
IUPAC Name2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium
SMILESCCc1ccc(C2C=CC=C[N+]2(C)C)c(C)c1
InChIInChI=1S/C16H22N/c1-5-14-9-10-15(13(2)12-14)16-8-6-7-11-17(16,3)4/h6-12,16H,5H2,1-4H3/q+1
InChIKeyQJYBFJJUEUGECA-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 161003738
1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane
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acetaldehyde;4-ethyl-2-methylphenol
CID 143589394
ethane;1-ethyl-3-methylbenzene;formaldehyde
CID 172563625

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium?
The IUPAC name of 2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium (CID 163833451) is 2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium.
What is the SMILES notation for 2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium?
The canonical SMILES for 2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium is CCc1ccc(C2C=CC=C[N+]2(C)C)c(C)c1.
What is the InChIKey of 2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium?
The InChIKey is QJYBFJJUEUGECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N/c1-5-14-9-10-15(13(2)12-14)16-8-6-7-11-17(16,3)4/h6-12,16H,5H2,1-4H3/q+1.
What are the key properties of 2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium?
2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium has a molecular weight of 228.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methylphenyl)-1,1-dimethyl-2H-pyridin-1-ium is sourced from PubChem (CID 163833451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).