ethane;3-ethyl-4,5-dimethylpyridine

C11H19N — CID 142026003

IUPACethane;3-ethyl-4,5-dimethylpyridine
SMILESCC.CCc1cncc(C)c1C
InChIInChI=1S/C9H13N.C2H6/c1-4-9-6-10-5-7(2)8(9)3;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyLXXMOTGHQXYTNF-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.29
Rot. Bonds1

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

ethane;3-ethyl-4,5-dimethylpyridine (PubChem CID 142026003) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is ethane;3-ethyl-4,5-dimethylpyridine.

Molecular Properties

Compound Nameethane;3-ethyl-4,5-dimethylpyridine
PubChem CID142026003
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Nameethane;3-ethyl-4,5-dimethylpyridine
SMILESCC.CCc1cncc(C)c1C
InChIInChI=1S/C9H13N.C2H6/c1-4-9-6-10-5-7(2)8(9)3;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyLXXMOTGHQXYTNF-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-4,5-dimethylpyridine?
The IUPAC name of ethane;3-ethyl-4,5-dimethylpyridine (CID 142026003) is ethane;3-ethyl-4,5-dimethylpyridine.
What is the SMILES notation for ethane;3-ethyl-4,5-dimethylpyridine?
The canonical SMILES for ethane;3-ethyl-4,5-dimethylpyridine is CC.CCc1cncc(C)c1C.
What is the InChIKey of ethane;3-ethyl-4,5-dimethylpyridine?
The InChIKey is LXXMOTGHQXYTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2H6/c1-4-9-6-10-5-7(2)8(9)3;1-2/h5-6H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-4,5-dimethylpyridine?
ethane;3-ethyl-4,5-dimethylpyridine has a molecular weight of 165.28 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-4,5-dimethylpyridine is sourced from PubChem (CID 142026003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).