(8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine

C22H42N4 — CID 130220389

IUPAC(8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)N1CCN2CC(C[C@@H](C)N3CCN4CCC[C@]4(C)C3)C[C@@]2(C)C1
InChIInChI=1S/C22H42N4/c1-18(2)23-9-12-26-15-20(14-22(26,5)17-23)13-19(3)24-10-11-25-8-6-7-21(25,4)16-24/h18-20H,6-17H2,1-5H3/t19-,20?,21-,22+/m1/s1
InChIKeySDGPXMZZUIKZQL-XCSKNGGISA-N
MW362.61 g/mol
LogP2.74
Rot. Bonds4

About (8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine

(8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine (PubChem CID 130220389) has the molecular formula C22H42N4 and a molecular weight of 362.61 g/mol. Its IUPAC name is (8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
PubChem CID130220389
Molecular FormulaC22H42N4
Molecular Weight362.61 g/mol
Exact Mass362.34
IUPAC Name(8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)N1CCN2CC(C[C@@H](C)N3CCN4CCC[C@]4(C)C3)C[C@@]2(C)C1
InChIInChI=1S/C22H42N4/c1-18(2)23-9-12-26-15-20(14-22(26,5)17-23)13-19(3)24-10-11-25-8-6-7-21(25,4)16-24/h18-20H,6-17H2,1-5H3/t19-,20?,21-,22+/m1/s1
InChIKeySDGPXMZZUIKZQL-XCSKNGGISA-N
XLogP2.74
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine (CID 130220389) is (8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine is CC(C)N1CCN2CC(C[C@@H](C)N3CCN4CCC[C@]4(C)C3)C[C@@]2(C)C1.
What is the InChIKey of (8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The InChIKey is SDGPXMZZUIKZQL-XCSKNGGISA-N. The full InChI is InChI=1S/C22H42N4/c1-18(2)23-9-12-26-15-20(14-22(26,5)17-23)13-19(3)24-10-11-25-8-6-7-21(25,4)16-24/h18-20H,6-17H2,1-5H3/t19-,20?,21-,22+/m1/s1.
What are the key properties of (8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
(8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine has a molecular weight of 362.61 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-[(2R)-2-[(8aR)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]propyl]-8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 130220389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).