4-ethyl-3,6-dimethyl-3,4-dihydropyridine

C9H15N — CID 154676272

IUPAC4-ethyl-3,6-dimethyl-3,4-dihydropyridine
SMILESCCC1C=C(C)N=CC1C
InChIInChI=1S/C9H15N/c1-4-9-5-8(3)10-6-7(9)2/h5-7,9H,4H2,1-3H3
InChIKeyUMIAWGURMRQBGR-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.64
Rot. Bonds1

About 4-ethyl-3,6-dimethyl-3,4-dihydropyridine

4-ethyl-3,6-dimethyl-3,4-dihydropyridine (PubChem CID 154676272) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-ethyl-3,6-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-ethyl-3,6-dimethyl-3,4-dihydropyridine
PubChem CID154676272
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-ethyl-3,6-dimethyl-3,4-dihydropyridine
SMILESCCC1C=C(C)N=CC1C
InChIInChI=1S/C9H15N/c1-4-9-5-8(3)10-6-7(9)2/h5-7,9H,4H2,1-3H3
InChIKeyUMIAWGURMRQBGR-UHFFFAOYSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-3,6-dimethyl-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 4-ethyl-3,6-dimethyl-3,4-dihydropyridine?
The IUPAC name of 4-ethyl-3,6-dimethyl-3,4-dihydropyridine (CID 154676272) is 4-ethyl-3,6-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for 4-ethyl-3,6-dimethyl-3,4-dihydropyridine?
The canonical SMILES for 4-ethyl-3,6-dimethyl-3,4-dihydropyridine is CCC1C=C(C)N=CC1C.
What is the InChIKey of 4-ethyl-3,6-dimethyl-3,4-dihydropyridine?
The InChIKey is UMIAWGURMRQBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-9-5-8(3)10-6-7(9)2/h5-7,9H,4H2,1-3H3.
What are the key properties of 4-ethyl-3,6-dimethyl-3,4-dihydropyridine?
4-ethyl-3,6-dimethyl-3,4-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,6-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 154676272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).