6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C11H22N2 — CID 145371259

IUPAC6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)C1CCC2CNCCN21
InChIInChI=1S/C11H22N2/c1-11(2,3)10-5-4-9-8-12-6-7-13(9)10/h9-10,12H,4-8H2,1-3H3
InChIKeyKAYHMOAJTFTBKN-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds

About 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 145371259) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID145371259
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)C1CCC2CNCCN21
InChIInChI=1S/C11H22N2/c1-11(2,3)10-5-4-9-8-12-6-7-13(9)10/h9-10,12H,4-8H2,1-3H3
InChIKeyKAYHMOAJTFTBKN-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 145371259) is 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is CC(C)(C)C1CCC2CNCCN21.
What is the InChIKey of 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is KAYHMOAJTFTBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2,3)10-5-4-9-8-12-6-7-13(9)10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 145371259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).