2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine

C15H26N2 — CID 139460256

IUPAC2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine
SMILESCC(C)C(C)CCc1cncc(C(C)(C)C)n1
InChIInChI=1S/C15H26N2/c1-11(2)12(3)7-8-13-9-16-10-14(17-13)15(4,5)6/h9-12H,7-8H2,1-6H3
InChIKeyVJMCUWMCQVPOAM-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.00
Rot. Bonds4

About 2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine

2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine (PubChem CID 139460256) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine.

Molecular Properties

Compound Name2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine
PubChem CID139460256
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine
SMILESCC(C)C(C)CCc1cncc(C(C)(C)C)n1
InChIInChI=1S/C15H26N2/c1-11(2)12(3)7-8-13-9-16-10-14(17-13)15(4,5)6/h9-12H,7-8H2,1-6H3
InChIKeyVJMCUWMCQVPOAM-UHFFFAOYSA-N
XLogP4.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine?
The IUPAC name of 2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine (CID 139460256) is 2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine.
What is the SMILES notation for 2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine?
The canonical SMILES for 2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine is CC(C)C(C)CCc1cncc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine?
The InChIKey is VJMCUWMCQVPOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)12(3)7-8-13-9-16-10-14(17-13)15(4,5)6/h9-12H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine?
2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine has a molecular weight of 234.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine is sourced from PubChem (CID 139460256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).