2,3-diethyl-2,5-dihydropyridine

C9H15N — CID 57226784

IUPAC2,3-diethyl-2,5-dihydropyridine
SMILESCCC1=CCC=NC1CC
InChIInChI=1S/C9H15N/c1-3-8-6-5-7-10-9(8)4-2/h6-7,9H,3-5H2,1-2H3
InChIKeySLBQUVMKLXAZQH-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds2

About 2,3-diethyl-2,5-dihydropyridine

2,3-diethyl-2,5-dihydropyridine (PubChem CID 57226784) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,3-diethyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2,3-diethyl-2,5-dihydropyridine
PubChem CID57226784
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,3-diethyl-2,5-dihydropyridine
SMILESCCC1=CCC=NC1CC
InChIInChI=1S/C9H15N/c1-3-8-6-5-7-10-9(8)4-2/h6-7,9H,3-5H2,1-2H3
InChIKeySLBQUVMKLXAZQH-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-diethyl-2,5-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-Propyl-2,3-dihydropyridine
CID 68521817
3,5,6,8a-Tetrahydroquinoline
CID 90716025
Bis-propylideneaniline
CID 129791915
5-(1,1-Difluoroethyl)-2-propyl-2,3-dihydropyridine
CID 135197188
(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 127262357
N-cyclohexyl-6-methylhept-5-en-2-imine
CID 11009116
(E)-N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 23394363
2,4-Dimethyl-2,3-dihydropyridine
CID 53803640
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
2-Methyl-3,5,8,8a-tetrahydroquinoline
CID 53954316
3-Ethyl-3,5,8,8a-tetrahydroquinoline
CID 53980454
3,5,8,8a-Tetrahydroquinoline
CID 54491121

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2,5-dihydropyridine?
The IUPAC name of 2,3-diethyl-2,5-dihydropyridine (CID 57226784) is 2,3-diethyl-2,5-dihydropyridine.
What is the SMILES notation for 2,3-diethyl-2,5-dihydropyridine?
The canonical SMILES for 2,3-diethyl-2,5-dihydropyridine is CCC1=CCC=NC1CC.
What is the InChIKey of 2,3-diethyl-2,5-dihydropyridine?
The InChIKey is SLBQUVMKLXAZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8-6-5-7-10-9(8)4-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 2,3-diethyl-2,5-dihydropyridine?
2,3-diethyl-2,5-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2,5-dihydropyridine is sourced from PubChem (CID 57226784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).