2,5-dimethyl-3-propan-2-ylpyridine;ethane

C12H21N — CID 158491819

IUPAC2,5-dimethyl-3-propan-2-ylpyridine;ethane
SMILESCC.Cc1cnc(C)c(C(C)C)c1
InChIInChI=1S/C10H15N.C2H6/c1-7(2)10-5-8(3)6-11-9(10)4;1-2/h5-7H,1-4H3;1-2H3
InChIKeyHIUFPLMUBXKWLT-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.85
Rot. Bonds1

About 2,5-dimethyl-3-propan-2-ylpyridine;ethane

2,5-dimethyl-3-propan-2-ylpyridine;ethane (PubChem CID 158491819) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,5-dimethyl-3-propan-2-ylpyridine;ethane.

Molecular Properties

Compound Name2,5-dimethyl-3-propan-2-ylpyridine;ethane
PubChem CID158491819
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,5-dimethyl-3-propan-2-ylpyridine;ethane
SMILESCC.Cc1cnc(C)c(C(C)C)c1
InChIInChI=1S/C10H15N.C2H6/c1-7(2)10-5-8(3)6-11-9(10)4;1-2/h5-7H,1-4H3;1-2H3
InChIKeyHIUFPLMUBXKWLT-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethyl-3-propan-2-ylpyridine;ethane 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 2,5-dimethyl-3-propan-2-ylpyridine;ethane?
The IUPAC name of 2,5-dimethyl-3-propan-2-ylpyridine;ethane (CID 158491819) is 2,5-dimethyl-3-propan-2-ylpyridine;ethane.
What is the SMILES notation for 2,5-dimethyl-3-propan-2-ylpyridine;ethane?
The canonical SMILES for 2,5-dimethyl-3-propan-2-ylpyridine;ethane is CC.Cc1cnc(C)c(C(C)C)c1.
What is the InChIKey of 2,5-dimethyl-3-propan-2-ylpyridine;ethane?
The InChIKey is HIUFPLMUBXKWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H6/c1-7(2)10-5-8(3)6-11-9(10)4;1-2/h5-7H,1-4H3;1-2H3.
What are the key properties of 2,5-dimethyl-3-propan-2-ylpyridine;ethane?
2,5-dimethyl-3-propan-2-ylpyridine;ethane has a molecular weight of 179.31 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-propan-2-ylpyridine;ethane is sourced from PubChem (CID 158491819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).