2-ethyl-3-methyl-3,4-dihydropyridine

C8H13N — CID 142207815

IUPAC2-ethyl-3-methyl-3,4-dihydropyridine
SMILESCCC1=NC=CCC1C
InChIInChI=1S/C8H13N/c1-3-8-7(2)5-4-6-9-8/h4,6-7H,3,5H2,1-2H3
InChIKeyUGJWPTRNDOBSGS-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds1

About 2-ethyl-3-methyl-3,4-dihydropyridine

2-ethyl-3-methyl-3,4-dihydropyridine (PubChem CID 142207815) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-ethyl-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-3-methyl-3,4-dihydropyridine
PubChem CID142207815
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-ethyl-3-methyl-3,4-dihydropyridine
SMILESCCC1=NC=CCC1C
InChIInChI=1S/C8H13N/c1-3-8-7(2)5-4-6-9-8/h4,6-7H,3,5H2,1-2H3
InChIKeyUGJWPTRNDOBSGS-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-3-methyl-3,4-dihydropyridine 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

2-(2-Fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
CID 141419498
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
2-Ethyl-5-fluoro-4-methyl-3,4-dihydropyridine
CID 156207077
2-ethyl-3-(trifluoromethyl)-4,5-dihydro-3H-azepine
CID 163622753
(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine
CID 166673263
2,4-Dimethyl-4-ethylpyridine
CID 129809879
Azabicyclo[4.3.1]decadiene
CID 129815785
Azabicyclo[3.2.1]octadiene
CID 129817585
2-Methyl-4-(trifluoromethyl)-3,4-dihydropyridine
CID 152829510
4-Ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 162611849
2-Ethyl-3,4-dihydropyridine
CID 14979253

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-3,4-dihydropyridine?
The IUPAC name of 2-ethyl-3-methyl-3,4-dihydropyridine (CID 142207815) is 2-ethyl-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-ethyl-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-ethyl-3-methyl-3,4-dihydropyridine is CCC1=NC=CCC1C.
What is the InChIKey of 2-ethyl-3-methyl-3,4-dihydropyridine?
The InChIKey is UGJWPTRNDOBSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-7(2)5-4-6-9-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-3,4-dihydropyridine?
2-ethyl-3-methyl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 142207815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).