5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium

C14H24N+ — CID 91802179

IUPAC5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium
SMILESCCc1c(C)c(C)c(C)[n+](C)c1C(C)C
InChIInChI=1S/C14H24N/c1-8-13-11(5)10(4)12(6)15(7)14(13)9(2)3/h9H,8H2,1-7H3/q+1
InChIKeyASPHTGVFYSGCJK-UHFFFAOYSA-N
MW206.35 g/mol
LogP3.12
Rot. Bonds2

About 5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium

5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium (PubChem CID 91802179) has the molecular formula C14H24N+ and a molecular weight of 206.35 g/mol. Its IUPAC name is 5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium.

Molecular Properties

Compound Name5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium
PubChem CID91802179
Molecular FormulaC14H24N+
Molecular Weight206.35 g/mol
Exact Mass206.19
IUPAC Name5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium
SMILESCCc1c(C)c(C)c(C)[n+](C)c1C(C)C
InChIInChI=1S/C14H24N/c1-8-13-11(5)10(4)12(6)15(7)14(13)9(2)3/h9H,8H2,1-7H3/q+1
InChIKeyASPHTGVFYSGCJK-UHFFFAOYSA-N
XLogP3.12
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene
CID 91325088
4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
CID 174838412
1-ethyl-2,3,5,6-tetramethyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]benzene
CID 20685020
1,3-diethyl-2-methyl-5-propan-2-ylbenzene
CID 153439448
2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene
CID 155183412
1,5-dimethyl-2,4,6-tri(propan-2-yl)pyrimidin-1-ium
CID 158083401
1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane
CID 91195776
1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene
CID 59872066
sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol
CID 18362565
2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine
CID 80655215
1-(cyclopropen-1-yl)-2-ethyl-3,4,5,6-tetramethylbenzene
CID 123254762
1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium
CID 163921401

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium?
The IUPAC name of 5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium (CID 91802179) is 5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium.
What is the SMILES notation for 5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium?
The canonical SMILES for 5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium is CCc1c(C)c(C)c(C)[n+](C)c1C(C)C.
What is the InChIKey of 5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium?
The InChIKey is ASPHTGVFYSGCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N/c1-8-13-11(5)10(4)12(6)15(7)14(13)9(2)3/h9H,8H2,1-7H3/q+1.
What are the key properties of 5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium?
5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium has a molecular weight of 206.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,3,4-tetramethyl-6-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 91802179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).