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

C11H18N2 — CID 528106

IUPAC2,3-dimethyl-5-(2-methylbutyl)pyrazine
SMILESCCC(C)Cc1cnc(C)c(C)n1
InChIInChI=1S/C11H18N2/c1-5-8(2)6-11-7-12-9(3)10(4)13-11/h7-8H,5-6H2,1-4H3
InChIKeyQJQUDEDFDDMKGC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.68
Rot. Bonds3

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

2,3-dimethyl-5-(2-methylbutyl)pyrazine (PubChem CID 528106) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,3-dimethyl-5-(2-methylbutyl)pyrazine.

Molecular Properties

Compound Name2,3-dimethyl-5-(2-methylbutyl)pyrazine
PubChem CID528106
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,3-dimethyl-5-(2-methylbutyl)pyrazine
SMILESCCC(C)Cc1cnc(C)c(C)n1
InChIInChI=1S/C11H18N2/c1-5-8(2)6-11-7-12-9(3)10(4)13-11/h7-8H,5-6H2,1-4H3
InChIKeyQJQUDEDFDDMKGC-UHFFFAOYSA-N
XLogP2.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(2-methylbutyl)pyrazine?
The IUPAC name of 2,3-dimethyl-5-(2-methylbutyl)pyrazine (CID 528106) is 2,3-dimethyl-5-(2-methylbutyl)pyrazine.
What is the SMILES notation for 2,3-dimethyl-5-(2-methylbutyl)pyrazine?
The canonical SMILES for 2,3-dimethyl-5-(2-methylbutyl)pyrazine is CCC(C)Cc1cnc(C)c(C)n1.
What is the InChIKey of 2,3-dimethyl-5-(2-methylbutyl)pyrazine?
The InChIKey is QJQUDEDFDDMKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-8(2)6-11-7-12-9(3)10(4)13-11/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-5-(2-methylbutyl)pyrazine?
2,3-dimethyl-5-(2-methylbutyl)pyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(2-methylbutyl)pyrazine is sourced from PubChem (CID 528106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).