2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium

C16H20N+ — CID 15193545

IUPAC2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium
SMILESCCC[n+]1c(C)cc(-c2ccccc2)cc1C
InChIInChI=1S/C16H20N/c1-4-10-17-13(2)11-16(12-14(17)3)15-8-6-5-7-9-15/h5-9,11-12H,4,10H2,1-3H3/q+1
InChIKeyUWWPOKRQEZUFFO-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.67
Rot. Bonds3

About 2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium

2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium (PubChem CID 15193545) has the molecular formula C16H20N+ and a molecular weight of 226.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium
PubChem CID15193545
Molecular FormulaC16H20N+
Molecular Weight226.34 g/mol
Exact Mass226.16
IUPAC Name2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium
SMILESCCC[n+]1c(C)cc(-c2ccccc2)cc1C
InChIInChI=1S/C16H20N/c1-4-10-17-13(2)11-16(12-14(17)3)15-8-6-5-7-9-15/h5-9,11-12H,4,10H2,1-3H3/q+1
InChIKeyUWWPOKRQEZUFFO-UHFFFAOYSA-N
XLogP3.67
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.67
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-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)ethyl]-2,6-dimethyl-4-phenylpyridin-1-ium perchlorate
CID 54607926
4-phenyl-2,6-di(propan-2-yl)-1-propylpyridin-1-ium
CID 3723031
2-methyl-4,6-bis(4-methylphenyl)-1-propylpyridin-1-ium perchlorate
CID 44888108
azane;1,1'-biphenyl;butane
CID 155168826
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
ethane;1,3,5-triphenylbenzene
CID 142123051
1-butyl-3,5-diphenylpyridin-1-ium
CID 71382796
2-methyl-1-propylpyridin-1-ium
CID 3808515
1-octyl-2,4,6-triphenylpyridin-1-ium tetrafluoroborate
CID 12564811
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
2,7-dimethyl-1-propylquinolin-1-ium;tetraphenylboranuide
CID 19877864

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium?
The IUPAC name of 2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium (CID 15193545) is 2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium?
The canonical SMILES for 2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium is CCC[n+]1c(C)cc(-c2ccccc2)cc1C.
What is the InChIKey of 2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium?
The InChIKey is UWWPOKRQEZUFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N/c1-4-10-17-13(2)11-16(12-14(17)3)15-8-6-5-7-9-15/h5-9,11-12H,4,10H2,1-3H3/q+1.
What are the key properties of 2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium?
2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium has a molecular weight of 226.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium is sourced from PubChem (CID 15193545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).