3-ethyl-2,6-di(propan-2-yl)pyridine

C13H21N — CID 166726878

IUPAC3-ethyl-2,6-di(propan-2-yl)pyridine
SMILESCCc1ccc(C(C)C)nc1C(C)C
InChIInChI=1S/C13H21N/c1-6-11-7-8-12(9(2)3)14-13(11)10(4)5/h7-10H,6H2,1-5H3
InChIKeyVRGCXLGFXKOYBA-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.89
Rot. Bonds3

About 3-ethyl-2,6-di(propan-2-yl)pyridine

3-ethyl-2,6-di(propan-2-yl)pyridine (PubChem CID 166726878) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-ethyl-2,6-di(propan-2-yl)pyridine.

Molecular Properties

Compound Name3-ethyl-2,6-di(propan-2-yl)pyridine
PubChem CID166726878
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-ethyl-2,6-di(propan-2-yl)pyridine
SMILESCCc1ccc(C(C)C)nc1C(C)C
InChIInChI=1S/C13H21N/c1-6-11-7-8-12(9(2)3)14-13(11)10(4)5/h7-10H,6H2,1-5H3
InChIKeyVRGCXLGFXKOYBA-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-di(propan-2-yl)pyridine?
The IUPAC name of 3-ethyl-2,6-di(propan-2-yl)pyridine (CID 166726878) is 3-ethyl-2,6-di(propan-2-yl)pyridine.
What is the SMILES notation for 3-ethyl-2,6-di(propan-2-yl)pyridine?
The canonical SMILES for 3-ethyl-2,6-di(propan-2-yl)pyridine is CCc1ccc(C(C)C)nc1C(C)C.
What is the InChIKey of 3-ethyl-2,6-di(propan-2-yl)pyridine?
The InChIKey is VRGCXLGFXKOYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-6-11-7-8-12(9(2)3)14-13(11)10(4)5/h7-10H,6H2,1-5H3.
What are the key properties of 3-ethyl-2,6-di(propan-2-yl)pyridine?
3-ethyl-2,6-di(propan-2-yl)pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-di(propan-2-yl)pyridine is sourced from PubChem (CID 166726878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).