3,5-dimethyl-2-(2-methylbutoxy)pyrazine

C11H18N2O — CID 86102824

IUPAC3,5-dimethyl-2-(2-methylbutoxy)pyrazine
SMILESCCC(C)COc1ncc(C)nc1C
InChIInChI=1S/C11H18N2O/c1-5-8(2)7-14-11-10(4)13-9(3)6-12-11/h6,8H,5,7H2,1-4H3
InChIKeyCHGAOWQXYRXQHL-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.52
Rot. Bonds4

About 3,5-dimethyl-2-(2-methylbutoxy)pyrazine

3,5-dimethyl-2-(2-methylbutoxy)pyrazine (PubChem CID 86102824) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2-methylbutoxy)pyrazine.

Molecular Properties

Compound Name3,5-dimethyl-2-(2-methylbutoxy)pyrazine
PubChem CID86102824
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,5-dimethyl-2-(2-methylbutoxy)pyrazine
SMILESCCC(C)COc1ncc(C)nc1C
InChIInChI=1S/C11H18N2O/c1-5-8(2)7-14-11-10(4)13-9(3)6-12-11/h6,8H,5,7H2,1-4H3
InChIKeyCHGAOWQXYRXQHL-UHFFFAOYSA-N
XLogP2.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(2-methylbutoxy)pyrazine?
The IUPAC name of 3,5-dimethyl-2-(2-methylbutoxy)pyrazine (CID 86102824) is 3,5-dimethyl-2-(2-methylbutoxy)pyrazine.
What is the SMILES notation for 3,5-dimethyl-2-(2-methylbutoxy)pyrazine?
The canonical SMILES for 3,5-dimethyl-2-(2-methylbutoxy)pyrazine is CCC(C)COc1ncc(C)nc1C.
What is the InChIKey of 3,5-dimethyl-2-(2-methylbutoxy)pyrazine?
The InChIKey is CHGAOWQXYRXQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-8(2)7-14-11-10(4)13-9(3)6-12-11/h6,8H,5,7H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-(2-methylbutoxy)pyrazine?
3,5-dimethyl-2-(2-methylbutoxy)pyrazine has a molecular weight of 194.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2-methylbutoxy)pyrazine is sourced from PubChem (CID 86102824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).