5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine

C13H19N — CID 123505686

IUPAC5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine
SMILESC=CC=CC1=C(C)CC(C)N=C1CC
InChIInChI=1S/C13H19N/c1-5-7-8-12-10(3)9-11(4)14-13(12)6-2/h5,7-8,11H,1,6,9H2,2-4H3
InChIKeyLFMFKHLNLHZMAY-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.69
Rot. Bonds3

About 5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine

5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine (PubChem CID 123505686) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine
PubChem CID123505686
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine
SMILESC=CC=CC1=C(C)CC(C)N=C1CC
InChIInChI=1S/C13H19N/c1-5-7-8-12-10(3)9-11(4)14-13(12)6-2/h5,7-8,11H,1,6,9H2,2-4H3
InChIKeyLFMFKHLNLHZMAY-UHFFFAOYSA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 442650
Nigrifactin
CID 5281688
3h-Quinoline
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2-methyl-2H-indole
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4-Methyl-2,3-dihydroquinoline
CID 68274032
Bis-propylideneaniline
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2-fluoro-N-pentylcyclohexa-2,4-dien-1-imine
CID 67831795
5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine
CID 146429564
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
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CID 173813481

Frequently Asked Questions

What is the IUPAC name of 5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine?
The IUPAC name of 5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine (CID 123505686) is 5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine is C=CC=CC1=C(C)CC(C)N=C1CC.
What is the InChIKey of 5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine?
The InChIKey is LFMFKHLNLHZMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-5-7-8-12-10(3)9-11(4)14-13(12)6-2/h5,7-8,11H,1,6,9H2,2-4H3.
What are the key properties of 5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine?
5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine has a molecular weight of 189.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-buta-1,3-dienyl-6-ethyl-2,4-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 123505686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).