ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine

C13H23N — CID 170581663

IUPACethane;6-ethyl-2-methyl-3-propan-2-ylpyridine
SMILESCC.CCc1ccc(C(C)C)c(C)n1
InChIInChI=1S/C11H17N.C2H6/c1-5-10-6-7-11(8(2)3)9(4)12-10;1-2/h6-8H,5H2,1-4H3;1-2H3
InChIKeyZXZIEYVCKNKJBD-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.10
Rot. Bonds2

About ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine

ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine (PubChem CID 170581663) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;6-ethyl-2-methyl-3-propan-2-ylpyridine
PubChem CID170581663
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;6-ethyl-2-methyl-3-propan-2-ylpyridine
SMILESCC.CCc1ccc(C(C)C)c(C)n1
InChIInChI=1S/C11H17N.C2H6/c1-5-10-6-7-11(8(2)3)9(4)12-10;1-2/h6-8H,5H2,1-4H3;1-2H3
InChIKeyZXZIEYVCKNKJBD-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine?
The IUPAC name of ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine (CID 170581663) is ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine.
What is the SMILES notation for ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine?
The canonical SMILES for ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine is CC.CCc1ccc(C(C)C)c(C)n1.
What is the InChIKey of ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine?
The InChIKey is ZXZIEYVCKNKJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-5-10-6-7-11(8(2)3)9(4)12-10;1-2/h6-8H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine?
ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine has a molecular weight of 193.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine is sourced from PubChem (CID 170581663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).