5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine

C12H20N2 — CID 59802694

IUPAC5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine
SMILESC=C1C=NC(C(C)(C)C)=CN1C(C)C
InChIInChI=1S/C12H20N2/c1-9(2)14-8-11(12(4,5)6)13-7-10(14)3/h7-9H,3H2,1-2,4-6H3
InChIKeyZNEPYPPDXJBNIN-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.18
Rot. Bonds1

About 5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine

5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine (PubChem CID 59802694) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine.

Molecular Properties

Compound Name5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine
PubChem CID59802694
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine
SMILESC=C1C=NC(C(C)(C)C)=CN1C(C)C
InChIInChI=1S/C12H20N2/c1-9(2)14-8-11(12(4,5)6)13-7-10(14)3/h7-9H,3H2,1-2,4-6H3
InChIKeyZNEPYPPDXJBNIN-UHFFFAOYSA-N
XLogP3.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-5-propan-2-yl-2H-pyrazine
CID 54204493
1,6-ditert-butyl-2H-pyrazine
CID 58300108
2-Methylidene-1-propan-2-ylpyrazine
CID 59517235
5-Tert-butyl-1-methyl-2-methylidenepyrazine
CID 59549203
N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine
CID 91379689
1,1,6-triethyl-2H-pyrazin-1-ium
CID 122697242
[3-(Dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium
CID 123420821
1,3-Di(propan-2-yl)pyrazine
CID 135212822
Ethane;2-methylidene-1-propan-2-ylpyrazine
CID 143160627
1-tert-butyl-6-ethyl-2H-pyrazine
CID 155404022
(Z)-N,3,3-trimethyl-2-(methylideneamino)-N-propan-2-ylbut-1-en-1-amine
CID 167076202
2-Methyl-6-methylidene-1,3-di(propan-2-yl)pyrazine
CID 168412584

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine?
The IUPAC name of 5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine (CID 59802694) is 5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine.
What is the SMILES notation for 5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine?
The canonical SMILES for 5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine is C=C1C=NC(C(C)(C)C)=CN1C(C)C.
What is the InChIKey of 5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine?
The InChIKey is ZNEPYPPDXJBNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)14-8-11(12(4,5)6)13-7-10(14)3/h7-9H,3H2,1-2,4-6H3.
What are the key properties of 5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine?
5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine has a molecular weight of 192.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methylidene-1-propan-2-ylpyrazine is sourced from PubChem (CID 59802694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).