2,5-diethyl-1,2-dihydropyridine

C9H15N — CID 167080953

IUPAC2,5-diethyl-1,2-dihydropyridine
SMILESCCC1=CNC(CC)C=C1
InChIInChI=1S/C9H15N/c1-3-8-5-6-9(4-2)10-7-8/h5-7,9-10H,3-4H2,1-2H3
InChIKeyQWAZNNLJVINOIV-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.22
Rot. Bonds2

About 2,5-diethyl-1,2-dihydropyridine

2,5-diethyl-1,2-dihydropyridine (PubChem CID 167080953) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,5-diethyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2,5-diethyl-1,2-dihydropyridine
PubChem CID167080953
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,5-diethyl-1,2-dihydropyridine
SMILESCCC1=CNC(CC)C=C1
InChIInChI=1S/C9H15N/c1-3-8-5-6-9(4-2)10-7-8/h5-7,9-10H,3-4H2,1-2H3
InChIKeyQWAZNNLJVINOIV-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-diethyl-1,2-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 2,5-diethyl-1,2-dihydropyridine?
The IUPAC name of 2,5-diethyl-1,2-dihydropyridine (CID 167080953) is 2,5-diethyl-1,2-dihydropyridine.
What is the SMILES notation for 2,5-diethyl-1,2-dihydropyridine?
The canonical SMILES for 2,5-diethyl-1,2-dihydropyridine is CCC1=CNC(CC)C=C1.
What is the InChIKey of 2,5-diethyl-1,2-dihydropyridine?
The InChIKey is QWAZNNLJVINOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8-5-6-9(4-2)10-7-8/h5-7,9-10H,3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-1,2-dihydropyridine?
2,5-diethyl-1,2-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1,2-dihydropyridine is sourced from PubChem (CID 167080953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).