5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine

C12H18N2 — CID 170294250

IUPAC5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine
SMILESC=Cn1cc(C(C)(C)C)cc/c1=N\C
InChIInChI=1S/C12H18N2/c1-6-14-9-10(12(2,3)4)7-8-11(14)13-5/h6-9H,1H2,2-5H3/b13-11+
InChIKeyWJBNZARAYOEUKR-ACCUITESSA-N
MW190.29 g/mol
LogP2.42
Rot. Bonds1

About 5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine

5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine (PubChem CID 170294250) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine.

Molecular Properties

Compound Name5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine
PubChem CID170294250
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine
SMILESC=Cn1cc(C(C)(C)C)cc/c1=N\C
InChIInChI=1S/C12H18N2/c1-6-14-9-10(12(2,3)4)7-8-11(14)13-5/h6-9H,1H2,2-5H3/b13-11+
InChIKeyWJBNZARAYOEUKR-ACCUITESSA-N
XLogP2.42
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine?
The IUPAC name of 5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine (CID 170294250) is 5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine.
What is the SMILES notation for 5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine?
The canonical SMILES for 5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine is C=Cn1cc(C(C)(C)C)cc/c1=N\C.
What is the InChIKey of 5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine?
The InChIKey is WJBNZARAYOEUKR-ACCUITESSA-N. The full InChI is InChI=1S/C12H18N2/c1-6-14-9-10(12(2,3)4)7-8-11(14)13-5/h6-9H,1H2,2-5H3/b13-11+.
What are the key properties of 5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine?
5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine has a molecular weight of 190.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-ethenyl-N-methylpyridin-2-imine is sourced from PubChem (CID 170294250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).