3-ethyl-1-methyl-2,3-dihydropyridin-1-ium

C8H14N+ — CID 123294262

IUPAC3-ethyl-1-methyl-2,3-dihydropyridin-1-ium
SMILESCCC1C=CC=[N+](C)C1
InChIInChI=1S/C8H14N/c1-3-8-5-4-6-9(2)7-8/h4-6,8H,3,7H2,1-2H3/q+1
InChIKeyGOEUEXJDYLPQEN-UHFFFAOYSA-N
MW124.21 g/mol
LogP1.30
Rot. Bonds1

About 3-ethyl-1-methyl-2,3-dihydropyridin-1-ium

3-ethyl-1-methyl-2,3-dihydropyridin-1-ium (PubChem CID 123294262) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2,3-dihydropyridin-1-ium.

Molecular Properties

Compound Name3-ethyl-1-methyl-2,3-dihydropyridin-1-ium
PubChem CID123294262
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Name3-ethyl-1-methyl-2,3-dihydropyridin-1-ium
SMILESCCC1C=CC=[N+](C)C1
InChIInChI=1S/C8H14N/c1-3-8-5-4-6-9(2)7-8/h4-6,8H,3,7H2,1-2H3/q+1
InChIKeyGOEUEXJDYLPQEN-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-methyl-2,3-dihydropyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-Methyl](phenyl)-N-[(E)-2-propenylidene]methanaminium
CID 137349817
1-Methyl-2,3-dihydropyridin-1-ium
CID 17977157
3-Ethyl-2,3-dihydropyridine
CID 54500796
3-Pent-1-enyl-2,3-dihydropyridine
CID 60055383
1,3-Dimethyl-2,3-dihydropyridin-1-ium
CID 66806709
4-methyl-3,4-dihydro-2H-azepine
CID 68099595
3-methyl-3,4-dihydro-2H-azepine
CID 68099596
3-(3-Methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine
CID 88999139
(Z)-N,4-dimethylhex-2-en-1-imine
CID 89195551
3-Propan-2-yl-2,3-dihydropyridine
CID 91515081
N-[(E)-3-methyloct-4-enyl]ethanimine
CID 117710360
(3S)-3-methyl-3,4-dihydro-2H-azepine
CID 121321315

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2,3-dihydropyridin-1-ium?
The IUPAC name of 3-ethyl-1-methyl-2,3-dihydropyridin-1-ium (CID 123294262) is 3-ethyl-1-methyl-2,3-dihydropyridin-1-ium.
What is the SMILES notation for 3-ethyl-1-methyl-2,3-dihydropyridin-1-ium?
The canonical SMILES for 3-ethyl-1-methyl-2,3-dihydropyridin-1-ium is CCC1C=CC=[N+](C)C1.
What is the InChIKey of 3-ethyl-1-methyl-2,3-dihydropyridin-1-ium?
The InChIKey is GOEUEXJDYLPQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N/c1-3-8-5-4-6-9(2)7-8/h4-6,8H,3,7H2,1-2H3/q+1.
What are the key properties of 3-ethyl-1-methyl-2,3-dihydropyridin-1-ium?
3-ethyl-1-methyl-2,3-dihydropyridin-1-ium has a molecular weight of 124.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2,3-dihydropyridin-1-ium is sourced from PubChem (CID 123294262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).