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

C9H16N+ — CID 123369361

IUPAC6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium
SMILESCCC1=CCC(C)C=[N+]1C
InChIInChI=1S/C9H16N/c1-4-9-6-5-8(2)7-10(9)3/h6-8H,4-5H2,1-3H3/q+1
InChIKeyDMKJVRJTAVJUGU-UHFFFAOYSA-N
MW138.23 g/mol
LogP2.03
Rot. Bonds1

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

6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium (PubChem CID 123369361) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is 6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium.

Molecular Properties

Compound Name6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium
PubChem CID123369361
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium
SMILESCCC1=CCC(C)C=[N+]1C
InChIInChI=1S/C9H16N/c1-4-9-6-5-8(2)7-10(9)3/h6-8H,4-5H2,1-3H3/q+1
InChIKeyDMKJVRJTAVJUGU-UHFFFAOYSA-N
XLogP2.03
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.03
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-4,6-dimethyl-3,4-dihydropyridine
CID 129196332
6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
5-(2-methylpropyl)-3H-pyrrole
CID 22094961
4,6-Dimethyl-3,4-dihydropyridine
CID 53738464
4,4,6-trimethyl-3H-pyridine
CID 57056845
4-Ethyl-6-methyl-3,4-dihydropyridine
CID 57076451
5-ethyl-3-ethyl-3H-pyrrole;tungsten
CID 57710493
3,5-diethyl-3H-pyrrole
CID 57710494
2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
CID 58229508
5-tert-butyl-3-ethyl-3H-pyrrole
CID 59669491
3,4,6-Trimethyl-3,4-dihydropyridine
CID 59701053
1,6-Dimethyl-3,4-dihydropyridin-1-ium
CID 67176694

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium?
The IUPAC name of 6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium (CID 123369361) is 6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium.
What is the SMILES notation for 6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium?
The canonical SMILES for 6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium is CCC1=CCC(C)C=[N+]1C.
What is the InChIKey of 6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium?
The InChIKey is DMKJVRJTAVJUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-4-9-6-5-8(2)7-10(9)3/h6-8H,4-5H2,1-3H3/q+1.
What are the key properties of 6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium?
6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium has a molecular weight of 138.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-dimethyl-3,4-dihydropyridin-1-ium is sourced from PubChem (CID 123369361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).