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

C13H28N2 — CID 145371258

IUPAC6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;ethane
SMILESCC.CC(C)(C)C1CCC2CNCCN21
InChIInChI=1S/C11H22N2.C2H6/c1-11(2,3)10-5-4-9-8-12-6-7-13(9)10;1-2/h9-10,12H,4-8H2,1-3H3;1-2H3
InChIKeySOGMJUIUWQYPEI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds

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

6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;ethane (PubChem CID 145371258) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;ethane.

Molecular Properties

Compound Name6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;ethane
PubChem CID145371258
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;ethane
SMILESCC.CC(C)(C)C1CCC2CNCCN21
InChIInChI=1S/C11H22N2.C2H6/c1-11(2,3)10-5-4-9-8-12-6-7-13(9)10;1-2/h9-10,12H,4-8H2,1-3H3;1-2H3
InChIKeySOGMJUIUWQYPEI-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
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;ethane?
The IUPAC name of 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;ethane (CID 145371258) is 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;ethane.
What is the SMILES notation for 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;ethane?
The canonical SMILES for 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;ethane is CC.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;ethane?
The InChIKey is SOGMJUIUWQYPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C2H6/c1-11(2,3)10-5-4-9-8-12-6-7-13(9)10;1-2/h9-10,12H,4-8H2,1-3H3;1-2H3.
What are the key properties of 6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;ethane?
6-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;ethane has a molecular weight of 212.38 g/mol, XLogP of 2.49, 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;ethane is sourced from PubChem (CID 145371258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).