5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine

C11H18N2 — CID 134338389

IUPAC5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine
SMILESC=CC1=NC(C(C)(C)C)=CN(C)C1
InChIInChI=1S/C11H18N2/c1-6-9-7-13(5)8-10(12-9)11(2,3)4/h6,8H,1,7H2,2-5H3
InChIKeyWHTRBTTZAKGOJF-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.45
Rot. Bonds1

About 5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine

5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine (PubChem CID 134338389) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine.

Molecular Properties

Compound Name5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine
PubChem CID134338389
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine
SMILESC=CC1=NC(C(C)(C)C)=CN(C)C1
InChIInChI=1S/C11H18N2/c1-6-9-7-13(5)8-10(12-9)11(2,3)4/h6,8H,1,7H2,2-5H3
InChIKeyWHTRBTTZAKGOJF-UHFFFAOYSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-propan-2-ylpyridin-4-imine
CID 25265946
N,1-dimethylpyridin-4-imine
CID 44303848
3-ethylimino-N,N-dimethylpenta-1,4-dien-2-amine
CID 117852697
3-ethylimino-N,N-dimethylbut-1-en-2-amine
CID 117852710
(Z)-2-(but-3-en-2-ylideneamino)-N,N-dimethylprop-1-en-1-amine
CID 134467495
3-ethenyl-1-methyl-5-propan-2-yl-2H-pyrazine
CID 135224630
(3E)-4-(but-3-en-2-ylideneamino)-N,N,3-trimethylbuta-1,3-dien-2-amine
CID 139522229
ethane;(2Z)-1-ethenyl-2-ethylidene-3,6-dimethylpyrazine;methane
CID 141771480
But-3-en-2-ylidene-ethenyl-methylazanium;ethane
CID 145695258
5-Tert-butyl-3-ethenyl-1,2-dihydropyrazine
CID 155371252
1-methyl-2-methylidene-N-[(Z)-prop-1-enyl]pyrrol-3-imine
CID 156091665
(Z)-3-ethenylimino-N,N-dimethylbut-1-en-1-amine
CID 156232455

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine?
The IUPAC name of 5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine (CID 134338389) is 5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine.
What is the SMILES notation for 5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine?
The canonical SMILES for 5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine is C=CC1=NC(C(C)(C)C)=CN(C)C1.
What is the InChIKey of 5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine?
The InChIKey is WHTRBTTZAKGOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-9-7-13(5)8-10(12-9)11(2,3)4/h6,8H,1,7H2,2-5H3.
What are the key properties of 5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine?
5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethenyl-1-methyl-2H-pyrazine is sourced from PubChem (CID 134338389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).