5-ethyl-1-methyl-3,6-dihydro-2H-pyridine

C8H15N — CID 12506165

IUPAC5-ethyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCC1=CCCN(C)C1
InChIInChI=1S/C8H15N/c1-3-8-5-4-6-9(2)7-8/h5H,3-4,6-7H2,1-2H3
InChIKeyZBBSLSIVTLPZNG-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds1

About 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine

5-ethyl-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 12506165) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-ethyl-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID12506165
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5-ethyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCC1=CCCN(C)C1
InChIInChI=1S/C8H15N/c1-3-8-5-4-6-9(2)7-8/h5H,3-4,6-7H2,1-2H3
InChIKeyZBBSLSIVTLPZNG-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 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 ≤ 51.66
H-Bond Donors ≤ 50
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 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine (CID 12506165) is 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine is CCC1=CCCN(C)C1.
What is the InChIKey of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZBBSLSIVTLPZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8-5-4-6-9(2)7-8/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
5-ethyl-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 125.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 12506165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).