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

C8H15N — CID 58247675

IUPAC5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine
SMILESCCC1C=NCCC1C
InChIInChI=1S/C8H15N/c1-3-8-6-9-5-4-7(8)2/h6-8H,3-5H2,1-2H3
InChIKeyYIOZEVKAZPNYHK-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.12
Rot. Bonds1

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

5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 58247675) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine
PubChem CID58247675
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine
SMILESCCC1C=NCCC1C
InChIInChI=1S/C8H15N/c1-3-8-6-9-5-4-7(8)2/h6-8H,3-5H2,1-2H3
InChIKeyYIOZEVKAZPNYHK-UHFFFAOYSA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine (CID 58247675) is 5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine is CCC1C=NCCC1C.
What is the InChIKey of 5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is YIOZEVKAZPNYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8-6-9-5-4-7(8)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine?
5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 2.12, 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-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 58247675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).