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

C11H19N — CID 123632856

IUPAC3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine
SMILESCCC1CN=CC(C)=C1C(C)C
InChIInChI=1S/C11H19N/c1-5-10-7-12-6-9(4)11(10)8(2)3/h6,8,10H,5,7H2,1-4H3
InChIKeyGEKFOJFUYHXZEM-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds2

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

3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine (PubChem CID 123632856) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine
PubChem CID123632856
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine
SMILESCCC1CN=CC(C)=C1C(C)C
InChIInChI=1S/C11H19N/c1-5-10-7-12-6-9(4)11(10)8(2)3/h6,8,10H,5,7H2,1-4H3
InChIKeyGEKFOJFUYHXZEM-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-5-methyl-4-propan-2-yl-2,3-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

(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
2,3,4,5-Tetramethyl-2,3-dihydropyridine
CID 54196834
4,5,6-Tri(propan-2-yl)-2,3-dihydropyridine
CID 58365477
5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole
CID 58394682
4-tert-butyl-3-(2-methylpropyl)-2H-pyrrole
CID 58477488
3,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 68344127
4-(2,4-dimethylpentan-3-ylidene)-3,5-dihydro-2H-pyridine
CID 68354026
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822
1-(5-ethyl-2-methylcyclohexen-1-yl)-N-propylmethanimine
CID 89623742
5-Ethyl-2-heptan-4-yl-2,3-dihydropyridine
CID 90902116
3,5-Diethyl-2-propyl-2,3-dihydropyridine
CID 91005853
2-butan-2-yl-2,5-dimethyl-3H-pyridine
CID 91332411

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine (CID 123632856) is 3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine is CCC1CN=CC(C)=C1C(C)C.
What is the InChIKey of 3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine?
The InChIKey is GEKFOJFUYHXZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-10-7-12-6-9(4)11(10)8(2)3/h6,8,10H,5,7H2,1-4H3.
What are the key properties of 3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine?
3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 123632856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).