ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate

C12H21NO2 — CID 123346858

IUPACethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate
SMILESCCOC(=O)C1CC(CC)C(C)=NC1C
InChIInChI=1S/C12H21NO2/c1-5-10-7-11(12(14)15-6-2)9(4)13-8(10)3/h9-11H,5-7H2,1-4H3
InChIKeyVKLKQPOOZBBJSV-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.44
Rot. Bonds3

About ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate

ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate (PubChem CID 123346858) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate
PubChem CID123346858
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate
SMILESCCOC(=O)C1CC(CC)C(C)=NC1C
InChIInChI=1S/C12H21NO2/c1-5-10-7-11(12(14)15-6-2)9(4)13-8(10)3/h9-11H,5-7H2,1-4H3
InChIKeyVKLKQPOOZBBJSV-UHFFFAOYSA-N
XLogP2.44
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(2-fluoropropylideneamino)cyclohexane-1-carboxylate
CID 91591161
Ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate
CID 57254010
Ethyl 2-ethyliminocyclopentane-1-carboxylate
CID 90768335
Ethyl 2-propan-2-yliminocyclopentane-1-carboxylate
CID 90901173
Ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate
CID 90959351
Ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate
CID 123186683
Ethyl 5-methyl-3-propan-2-yliminohexanoate
CID 123410205
Ethyl 2,4-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate
CID 123655285
Ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate
CID 123872882
N-(2-methoxycarbonylcyclohexyl)ethanimidate
CID 143433245
Ethyl 6-(4-methylpentan-2-ylideneamino)hexanoate
CID 146535006
Butyl 6-(4-methylpentan-2-ylideneamino)hexanoate
CID 146535008

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate (CID 123346858) is ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate is CCOC(=O)C1CC(CC)C(C)=NC1C.
What is the InChIKey of ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate?
The InChIKey is VKLKQPOOZBBJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-10-7-11(12(14)15-6-2)9(4)13-8(10)3/h9-11H,5-7H2,1-4H3.
What are the key properties of ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate?
ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate is sourced from PubChem (CID 123346858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).