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

C8H13N — CID 142548906

IUPAC6-ethyl-5-methyl-3,4-dihydropyridine
SMILESCCC1=C(C)CCC=N1
InChIInChI=1S/C8H13N/c1-3-8-7(2)5-4-6-9-8/h6H,3-5H2,1-2H3
InChIKeyVCTURPUHGFGRSP-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.54
Rot. Bonds1

About 6-ethyl-5-methyl-3,4-dihydropyridine

6-ethyl-5-methyl-3,4-dihydropyridine (PubChem CID 142548906) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 6-ethyl-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-ethyl-5-methyl-3,4-dihydropyridine
PubChem CID142548906
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name6-ethyl-5-methyl-3,4-dihydropyridine
SMILESCCC1=C(C)CCC=N1
InChIInChI=1S/C8H13N/c1-3-8-7(2)5-4-6-9-8/h6H,3-5H2,1-2H3
InChIKeyVCTURPUHGFGRSP-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6-Trimethyl-3,4-dihydropyridine
CID 88976975
6-Methyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 134593924
6-Ethyl-5-fluoro-3,4-dihydropyridine
CID 144145306
6-Tert-butyl-3,4-dihydropyridine
CID 14979259
4-ethyl-5-methyl-3H-pyrrole
CID 20767300
4,5-dimethyl-3H-pyrrole
CID 54481464
5-methyl-4-propan-2-yl-3H-pyrrole
CID 58525265
4-methyl-5-propan-2-yl-3H-pyrrole
CID 58574277
CID 58757170
CID 58757170
5,6-Dimethyl-3,4-dihydropyridine
CID 68338056
3,5-dimethyl-4-propan-2-yl-3H-pyrrole
CID 69174205
3,5-dimethyl-4-propyl-3H-pyrrole
CID 69174213

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-3,4-dihydropyridine?
The IUPAC name of 6-ethyl-5-methyl-3,4-dihydropyridine (CID 142548906) is 6-ethyl-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-ethyl-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-ethyl-5-methyl-3,4-dihydropyridine is CCC1=C(C)CCC=N1.
What is the InChIKey of 6-ethyl-5-methyl-3,4-dihydropyridine?
The InChIKey is VCTURPUHGFGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-7(2)5-4-6-9-8/h6H,3-5H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-3,4-dihydropyridine?
6-ethyl-5-methyl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 142548906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).