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

C8H13N — CID 143586067

IUPAC5-ethyl-2-methyl-3,4-dihydropyridine
SMILESCCC1=CN=C(C)CC1
InChIInChI=1S/C8H13N/c1-3-8-5-4-7(2)9-6-8/h6H,3-5H2,1-2H3
InChIKeyBQEXYLLONKMSKJ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.54
Rot. Bonds1

About 5-ethyl-2-methyl-3,4-dihydropyridine

5-ethyl-2-methyl-3,4-dihydropyridine (PubChem CID 143586067) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-ethyl-2-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-2-methyl-3,4-dihydropyridine
PubChem CID143586067
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-ethyl-2-methyl-3,4-dihydropyridine
SMILESCCC1=CN=C(C)CC1
InChIInChI=1S/C8H13N/c1-3-8-5-4-7(2)9-6-8/h6H,3-5H2,1-2H3
InChIKeyBQEXYLLONKMSKJ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-2-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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-3,4-dihydropyridine?
The IUPAC name of 5-ethyl-2-methyl-3,4-dihydropyridine (CID 143586067) is 5-ethyl-2-methyl-3,4-dihydropyridine.
What is the SMILES notation for 5-ethyl-2-methyl-3,4-dihydropyridine?
The canonical SMILES for 5-ethyl-2-methyl-3,4-dihydropyridine is CCC1=CN=C(C)CC1.
What is the InChIKey of 5-ethyl-2-methyl-3,4-dihydropyridine?
The InChIKey is BQEXYLLONKMSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-5-4-7(2)9-6-8/h6H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-3,4-dihydropyridine?
5-ethyl-2-methyl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-3,4-dihydropyridine is sourced from PubChem (CID 143586067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).