5-ethyl-2,6-dimethyl-2,3-dihydropyridine

C9H15N — CID 123979509

IUPAC5-ethyl-2,6-dimethyl-2,3-dihydropyridine
SMILESCCC1=CCC(C)N=C1C
InChIInChI=1S/C9H15N/c1-4-9-6-5-7(2)10-8(9)3/h6-7H,4-5H2,1-3H3
InChIKeyKBENPRWQDZNKNK-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds1

About 5-ethyl-2,6-dimethyl-2,3-dihydropyridine

5-ethyl-2,6-dimethyl-2,3-dihydropyridine (PubChem CID 123979509) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-ethyl-2,6-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-2,6-dimethyl-2,3-dihydropyridine
PubChem CID123979509
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-ethyl-2,6-dimethyl-2,3-dihydropyridine
SMILESCCC1=CCC(C)N=C1C
InChIInChI=1S/C9H15N/c1-4-9-6-5-7(2)10-8(9)3/h6-7H,4-5H2,1-3H3
InChIKeyKBENPRWQDZNKNK-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
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2-(1-Fluoroethyl)-5-methyl-2,3-dihydropyridine
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5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine
CID 146429564
6-Fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 163583193
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
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CID 145114030

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,6-dimethyl-2,3-dihydropyridine?
The IUPAC name of 5-ethyl-2,6-dimethyl-2,3-dihydropyridine (CID 123979509) is 5-ethyl-2,6-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 5-ethyl-2,6-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 5-ethyl-2,6-dimethyl-2,3-dihydropyridine is CCC1=CCC(C)N=C1C.
What is the InChIKey of 5-ethyl-2,6-dimethyl-2,3-dihydropyridine?
The InChIKey is KBENPRWQDZNKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-9-6-5-7(2)10-8(9)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-2,6-dimethyl-2,3-dihydropyridine?
5-ethyl-2,6-dimethyl-2,3-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,6-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 123979509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).