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

C8H13N — CID 142111118

IUPAC2-ethyl-5-methyl-3,4-dihydropyridine
SMILESCCC1=NC=C(C)CC1
InChIInChI=1S/C8H13N/c1-3-8-5-4-7(2)6-9-8/h6H,3-5H2,1-2H3
InChIKeyIGYFMEMAQMBUHM-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.54
Rot. Bonds1

About 2-ethyl-5-methyl-3,4-dihydropyridine

2-ethyl-5-methyl-3,4-dihydropyridine (PubChem CID 142111118) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-ethyl-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-5-methyl-3,4-dihydropyridine
PubChem CID142111118
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-ethyl-5-methyl-3,4-dihydropyridine
SMILESCCC1=NC=C(C)CC1
InChIInChI=1S/C8H13N/c1-3-8-5-4-7(2)6-9-8/h6H,3-5H2,1-2H3
InChIKeyIGYFMEMAQMBUHM-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-3,4-dihydropyridine?
The IUPAC name of 2-ethyl-5-methyl-3,4-dihydropyridine (CID 142111118) is 2-ethyl-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-ethyl-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-ethyl-5-methyl-3,4-dihydropyridine is CCC1=NC=C(C)CC1.
What is the InChIKey of 2-ethyl-5-methyl-3,4-dihydropyridine?
The InChIKey is IGYFMEMAQMBUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-5-4-7(2)6-9-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-3,4-dihydropyridine?
2-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 2-ethyl-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 142111118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).