5-ethyl-6-propan-2-yl-3,4-dihydropyridine

C10H17N — CID 123519401

IUPAC5-ethyl-6-propan-2-yl-3,4-dihydropyridine
SMILESCCC1=C(C(C)C)N=CCC1
InChIInChI=1S/C10H17N/c1-4-9-6-5-7-11-10(9)8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyNTKGZYVBFIMQEV-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds2

About 5-ethyl-6-propan-2-yl-3,4-dihydropyridine

5-ethyl-6-propan-2-yl-3,4-dihydropyridine (PubChem CID 123519401) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-ethyl-6-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-6-propan-2-yl-3,4-dihydropyridine
PubChem CID123519401
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-ethyl-6-propan-2-yl-3,4-dihydropyridine
SMILESCCC1=C(C(C)C)N=CCC1
InChIInChI=1S/C10H17N/c1-4-9-6-5-7-11-10(9)8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyNTKGZYVBFIMQEV-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-6-propan-2-yl-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

Related Compounds

4,5,6-Trimethyl-3,4-dihydropyridine
CID 88976975
4,5-di(propan-2-yl)-3H-pyrrole
CID 22891059
N-(cyclohexen-1-yl)-2-methylpropan-1-imine
CID 53736477
3,5-Dimethyl-6-octyl-3,4-dihydropyridine
CID 54387990
4-methyl-5-propan-2-yl-3H-pyrrole
CID 58574277
3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 59359592
5,6-Dimethyl-3,4-dihydropyridine
CID 68338056
3,5-dimethyl-4-propyl-3H-pyrrole
CID 69174213
2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine
CID 91035762
3,6,7-trimethyl-4,5-dihydro-3H-azepine
CID 91279231
5-Methyl-6-propan-2-yl-3,4-dihydropyridine
CID 91423818
2,3-dimethyl-5-methylidene-4H-pyridine;ethane
CID 91581302

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 5-ethyl-6-propan-2-yl-3,4-dihydropyridine (CID 123519401) is 5-ethyl-6-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 5-ethyl-6-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 5-ethyl-6-propan-2-yl-3,4-dihydropyridine is CCC1=C(C(C)C)N=CCC1.
What is the InChIKey of 5-ethyl-6-propan-2-yl-3,4-dihydropyridine?
The InChIKey is NTKGZYVBFIMQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-9-6-5-7-11-10(9)8(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-6-propan-2-yl-3,4-dihydropyridine?
5-ethyl-6-propan-2-yl-3,4-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 123519401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).