2-(3,3-dimethylbutyl)-6-methylpyrazine

C11H18N2 — CID 142360846

IUPAC2-(3,3-dimethylbutyl)-6-methylpyrazine
SMILESCc1cncc(CCC(C)(C)C)n1
InChIInChI=1S/C11H18N2/c1-9-7-12-8-10(13-9)5-6-11(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyFUJJANSZMNSDTO-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.76
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-6-methylpyrazine

2-(3,3-dimethylbutyl)-6-methylpyrazine (PubChem CID 142360846) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-6-methylpyrazine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-6-methylpyrazine
PubChem CID142360846
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-(3,3-dimethylbutyl)-6-methylpyrazine
SMILESCc1cncc(CCC(C)(C)C)n1
InChIInChI=1S/C11H18N2/c1-9-7-12-8-10(13-9)5-6-11(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyFUJJANSZMNSDTO-UHFFFAOYSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-6-methylpyrazine?
The IUPAC name of 2-(3,3-dimethylbutyl)-6-methylpyrazine (CID 142360846) is 2-(3,3-dimethylbutyl)-6-methylpyrazine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-6-methylpyrazine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-6-methylpyrazine is Cc1cncc(CCC(C)(C)C)n1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-6-methylpyrazine?
The InChIKey is FUJJANSZMNSDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-7-12-8-10(13-9)5-6-11(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutyl)-6-methylpyrazine?
2-(3,3-dimethylbutyl)-6-methylpyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-6-methylpyrazine is sourced from PubChem (CID 142360846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).