(8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine

C12H24N2 — CID 58683666

IUPAC(8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)N1CCN2CCC[C@@]2(C)C1
InChIInChI=1S/C12H24N2/c1-11(2,3)14-9-8-13-7-5-6-12(13,4)10-14/h5-10H2,1-4H3/t12-/m0/s1
InChIKeyMBYPMQSLLSZZFR-LBPRGKRZSA-N
MW196.34 g/mol
LogP1.96
Rot. Bonds

About (8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine

(8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine (PubChem CID 58683666) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
PubChem CID58683666
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)N1CCN2CCC[C@@]2(C)C1
InChIInChI=1S/C12H24N2/c1-11(2,3)14-9-8-13-7-5-6-12(13,4)10-14/h5-10H2,1-4H3/t12-/m0/s1
InChIKeyMBYPMQSLLSZZFR-LBPRGKRZSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine (CID 58683666) is (8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine is CC(C)(C)N1CCN2CCC[C@@]2(C)C1.
What is the InChIKey of (8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The InChIKey is MBYPMQSLLSZZFR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2,3)14-9-8-13-7-5-6-12(13,4)10-14/h5-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
(8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine has a molecular weight of 196.34 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-tert-butyl-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 58683666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).