4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine

C8H15N — CID 23423763

IUPAC4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCCC1=C(C)CNCC1
InChIInChI=1S/C8H15N/c1-3-8-4-5-9-6-7(8)2/h9H,3-6H2,1-2H3
InChIKeyACMVLRBBHOUCMB-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.71
Rot. Bonds1

About 4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine

4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 23423763) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID23423763
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCCC1=C(C)CNCC1
InChIInChI=1S/C8H15N/c1-3-8-4-5-9-6-7(8)2/h9H,3-6H2,1-2H3
InChIKeyACMVLRBBHOUCMB-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine (CID 23423763) is 4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine is CCC1=C(C)CNCC1.
What is the InChIKey of 4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is ACMVLRBBHOUCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8-4-5-9-6-7(8)2/h9H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine?
4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 23423763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).