5-ethyl-4-methyl-3,4-dihydropyridine

C8H13N — CID 90809154

IUPAC5-ethyl-4-methyl-3,4-dihydropyridine
SMILESCCC1=CN=CCC1C
InChIInChI=1S/C8H13N/c1-3-8-6-9-5-4-7(8)2/h5-7H,3-4H2,1-2H3
InChIKeyAAMXZLUZYYBRNZ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds1

About 5-ethyl-4-methyl-3,4-dihydropyridine

5-ethyl-4-methyl-3,4-dihydropyridine (PubChem CID 90809154) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-ethyl-4-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-4-methyl-3,4-dihydropyridine
PubChem CID90809154
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-ethyl-4-methyl-3,4-dihydropyridine
SMILESCCC1=CN=CCC1C
InChIInChI=1S/C8H13N/c1-3-8-6-9-5-4-7(8)2/h5-7H,3-4H2,1-2H3
InChIKeyAAMXZLUZYYBRNZ-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-3,4-dihydropyridine
CID 14979265
6-fluoro-5-propan-2-yl-4,5-dihydro-3H-azepine
CID 123302321
3-Fluoro-5-propan-2-yl-3,4-dihydropyridine
CID 166850650
5-Propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyridine
CID 166850801
5-Ethyl-4-fluoro-3-methyl-3,4-dihydropyridine
CID 167009176
3,7-Diethyl-5-azanona-3,5-diene
CID 12413470
N-(cyclohexylidenemethyl)propan-1-imine
CID 12942395
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
5-Methyl-3,4-dihydropyridine
CID 14979264
5-Propan-2-yl-3,4-dihydropyridine
CID 14979266
5-Tert-butyl-3,4-dihydropyridine
CID 14979267
4,5-Dimethyl-3,4-dihydropyridine
CID 14979272

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-3,4-dihydropyridine?
The IUPAC name of 5-ethyl-4-methyl-3,4-dihydropyridine (CID 90809154) is 5-ethyl-4-methyl-3,4-dihydropyridine.
What is the SMILES notation for 5-ethyl-4-methyl-3,4-dihydropyridine?
The canonical SMILES for 5-ethyl-4-methyl-3,4-dihydropyridine is CCC1=CN=CCC1C.
What is the InChIKey of 5-ethyl-4-methyl-3,4-dihydropyridine?
The InChIKey is AAMXZLUZYYBRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-6-9-5-4-7(8)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-4-methyl-3,4-dihydropyridine?
5-ethyl-4-methyl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-3,4-dihydropyridine is sourced from PubChem (CID 90809154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).