3,5-diethyl-2,5-dihydropyridine

C9H15N — CID 57046703

IUPAC3,5-diethyl-2,5-dihydropyridine
SMILESCCC1=CC(CC)C=NC1
InChIInChI=1S/C9H15N/c1-3-8-5-9(4-2)7-10-6-8/h5-6,8H,3-4,7H2,1-2H3
InChIKeyDBHSUBMXPLFNHO-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds2

About 3,5-diethyl-2,5-dihydropyridine

3,5-diethyl-2,5-dihydropyridine (PubChem CID 57046703) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,5-diethyl-2,5-dihydropyridine.

Molecular Properties

Compound Name3,5-diethyl-2,5-dihydropyridine
PubChem CID57046703
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,5-diethyl-2,5-dihydropyridine
SMILESCCC1=CC(CC)C=NC1
InChIInChI=1S/C9H15N/c1-3-8-5-9(4-2)7-10-6-8/h5-6,8H,3-4,7H2,1-2H3
InChIKeyDBHSUBMXPLFNHO-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
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 3,5-diethyl-2,5-dihydropyridine?
The IUPAC name of 3,5-diethyl-2,5-dihydropyridine (CID 57046703) is 3,5-diethyl-2,5-dihydropyridine.
What is the SMILES notation for 3,5-diethyl-2,5-dihydropyridine?
The canonical SMILES for 3,5-diethyl-2,5-dihydropyridine is CCC1=CC(CC)C=NC1.
What is the InChIKey of 3,5-diethyl-2,5-dihydropyridine?
The InChIKey is DBHSUBMXPLFNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8-5-9(4-2)7-10-6-8/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3,5-diethyl-2,5-dihydropyridine?
3,5-diethyl-2,5-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2,5-dihydropyridine is sourced from PubChem (CID 57046703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).