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

C8H13N — CID 54052565

IUPAC4-ethyl-3-methyl-3,4-dihydropyridine
SMILESCCC1C=CN=CC1C
InChIInChI=1S/C8H13N/c1-3-8-4-5-9-6-7(8)2/h4-8H,3H2,1-2H3
InChIKeyLTYCTZZOFANOIU-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.25
Rot. Bonds1

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

4-ethyl-3-methyl-3,4-dihydropyridine (PubChem CID 54052565) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4-ethyl-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-ethyl-3-methyl-3,4-dihydropyridine
PubChem CID54052565
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4-ethyl-3-methyl-3,4-dihydropyridine
SMILESCCC1C=CN=CC1C
InChIInChI=1S/C8H13N/c1-3-8-4-5-9-6-7(8)2/h4-8H,3H2,1-2H3
InChIKeyLTYCTZZOFANOIU-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine
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2-methyl-2H-1,4-oxazine
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-3,4-dihydropyridine?
The IUPAC name of 4-ethyl-3-methyl-3,4-dihydropyridine (CID 54052565) is 4-ethyl-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 4-ethyl-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 4-ethyl-3-methyl-3,4-dihydropyridine is CCC1C=CN=CC1C.
What is the InChIKey of 4-ethyl-3-methyl-3,4-dihydropyridine?
The InChIKey is LTYCTZZOFANOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-4-5-9-6-7(8)2/h4-8H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-3,4-dihydropyridine?
4-ethyl-3-methyl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 54052565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).