2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane

C12H22N2O — CID 145378977

IUPAC2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane
SMILESCC.Cc1cncc(OCC(C)(C)C)n1
InChIInChI=1S/C10H16N2O.C2H6/c1-8-5-11-6-9(12-8)13-7-10(2,3)4;1-2/h5-6H,7H2,1-4H3;1-2H3
InChIKeyHBULRGWGMVCIEA-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.24
Rot. Bonds2

About 2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane

2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane (PubChem CID 145378977) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane
PubChem CID145378977
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane
SMILESCC.Cc1cncc(OCC(C)(C)C)n1
InChIInChI=1S/C10H16N2O.C2H6/c1-8-5-11-6-9(12-8)13-7-10(2,3)4;1-2/h5-6H,7H2,1-4H3;1-2H3
InChIKeyHBULRGWGMVCIEA-UHFFFAOYSA-N
XLogP3.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylpropoxy)-6-methylpyrazine;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-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane?
The IUPAC name of 2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane (CID 145378977) is 2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane is CC.Cc1cncc(OCC(C)(C)C)n1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane?
The InChIKey is HBULRGWGMVCIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C2H6/c1-8-5-11-6-9(12-8)13-7-10(2,3)4;1-2/h5-6H,7H2,1-4H3;1-2H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane?
2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane has a molecular weight of 210.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane is sourced from PubChem (CID 145378977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).