3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine

C13H24N2 — CID 118583781

IUPAC3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)C1=C(C(C)C)N2CCCC2CN1
InChIInChI=1S/C13H24N2/c1-9(2)12-13(10(3)4)15-7-5-6-11(15)8-14-12/h9-11,14H,5-8H2,1-4H3
InChIKeyPDYQLWCRAQUMJX-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.58
Rot. Bonds2

About 3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine

3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine (PubChem CID 118583781) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine
PubChem CID118583781
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)C1=C(C(C)C)N2CCCC2CN1
InChIInChI=1S/C13H24N2/c1-9(2)12-13(10(3)4)15-7-5-6-11(15)8-14-12/h9-11,14H,5-8H2,1-4H3
InChIKeyPDYQLWCRAQUMJX-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine (CID 118583781) is 3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine is CC(C)C1=C(C(C)C)N2CCCC2CN1.
What is the InChIKey of 3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine?
The InChIKey is PDYQLWCRAQUMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-9(2)12-13(10(3)4)15-7-5-6-11(15)8-14-12/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine?
3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine has a molecular weight of 208.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 118583781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).