2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine

C8H15N — CID 58247687

IUPAC2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine
SMILESCCC1NC=CCC1C
InChIInChI=1S/C8H15N/c1-3-8-7(2)5-4-6-9-8/h4,6-9H,3,5H2,1-2H3
InChIKeyJQKRBCBPARXIBQ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds1

About 2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine

2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 58247687) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine
PubChem CID58247687
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine
SMILESCCC1NC=CCC1C
InChIInChI=1S/C8H15N/c1-3-8-7(2)5-4-6-9-8/h4,6-9H,3,5H2,1-2H3
InChIKeyJQKRBCBPARXIBQ-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine (CID 58247687) is 2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine is CCC1NC=CCC1C.
What is the InChIKey of 2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is JQKRBCBPARXIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8-7(2)5-4-6-9-8/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine?
2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 58247687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).