6-ethyl-1-methyl-3,4-dihydropyridin-1-ium

C8H14N+ — CID 123867063

IUPAC6-ethyl-1-methyl-3,4-dihydropyridin-1-ium
SMILESCCC1=CCCC=[N+]1C
InChIInChI=1S/C8H14N/c1-3-8-6-4-5-7-9(8)2/h6-7H,3-5H2,1-2H3/q+1
InChIKeyRSKXUWNKYRSCOE-UHFFFAOYSA-N
MW124.21 g/mol
LogP1.79
Rot. Bonds1

About 6-ethyl-1-methyl-3,4-dihydropyridin-1-ium

6-ethyl-1-methyl-3,4-dihydropyridin-1-ium (PubChem CID 123867063) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is 6-ethyl-1-methyl-3,4-dihydropyridin-1-ium.

Molecular Properties

Compound Name6-ethyl-1-methyl-3,4-dihydropyridin-1-ium
PubChem CID123867063
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Name6-ethyl-1-methyl-3,4-dihydropyridin-1-ium
SMILESCCC1=CCCC=[N+]1C
InChIInChI=1S/C8H14N/c1-3-8-6-4-5-7-9(8)2/h6-7H,3-5H2,1-2H3/q+1
InChIKeyRSKXUWNKYRSCOE-UHFFFAOYSA-N
XLogP1.79
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.79
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

3-Fluoro-6-methyl-3,4-dihydropyridine
CID 89071510
6-Ethyl-4-fluoro-3,4-dihydropyridine
CID 143491679
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
CID 14979257
6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
6-Tert-butyl-3,4-dihydropyridine
CID 14979259
1,5-dimethyl-3H-pyrrol-1-ium
CID 53651793
N,N-dimethyl-2,3-dihydropyridin-4-amine
CID 53922584
7-ethyl-4,5-dihydro-3H-azepine
CID 57035452
N,N-dimethyl-2,5-dihydropyridin-4-amine
CID 57063053
6-Butyl-3,4-dihydropyridine
CID 57232756
1,6-Dimethyl-3,4-dihydropyridin-1-ium
CID 67176694

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-3,4-dihydropyridin-1-ium?
The IUPAC name of 6-ethyl-1-methyl-3,4-dihydropyridin-1-ium (CID 123867063) is 6-ethyl-1-methyl-3,4-dihydropyridin-1-ium.
What is the SMILES notation for 6-ethyl-1-methyl-3,4-dihydropyridin-1-ium?
The canonical SMILES for 6-ethyl-1-methyl-3,4-dihydropyridin-1-ium is CCC1=CCCC=[N+]1C.
What is the InChIKey of 6-ethyl-1-methyl-3,4-dihydropyridin-1-ium?
The InChIKey is RSKXUWNKYRSCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N/c1-3-8-6-4-5-7-9(8)2/h6-7H,3-5H2,1-2H3/q+1.
What are the key properties of 6-ethyl-1-methyl-3,4-dihydropyridin-1-ium?
6-ethyl-1-methyl-3,4-dihydropyridin-1-ium has a molecular weight of 124.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-3,4-dihydropyridin-1-ium is sourced from PubChem (CID 123867063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).