ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine

C13H21N — CID 143996448

IUPACethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine
SMILESC=Cc1c(C)cnc(C)c1CC.CC
InChIInChI=1S/C11H15N.C2H6/c1-5-10-8(3)7-12-9(4)11(10)6-2;1-2/h5,7H,1,6H2,2-4H3;1-2H3
InChIKeySLJAVHSXXWPIFG-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.93
Rot. Bonds2

About ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine

ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine (PubChem CID 143996448) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine.

Molecular Properties

Compound Nameethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine
PubChem CID143996448
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine
SMILESC=Cc1c(C)cnc(C)c1CC.CC
InChIInChI=1S/C11H15N.C2H6/c1-5-10-8(3)7-12-9(4)11(10)6-2;1-2/h5,7H,1,6H2,2-4H3;1-2H3
InChIKeySLJAVHSXXWPIFG-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine?
The IUPAC name of ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine (CID 143996448) is ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine.
What is the SMILES notation for ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine?
The canonical SMILES for ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine is C=Cc1c(C)cnc(C)c1CC.CC.
What is the InChIKey of ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine?
The InChIKey is SLJAVHSXXWPIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-5-10-8(3)7-12-9(4)11(10)6-2;1-2/h5,7H,1,6H2,2-4H3;1-2H3.
What are the key properties of ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine?
ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine has a molecular weight of 191.32 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine is sourced from PubChem (CID 143996448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).