3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C17H26N2 — CID 79931016

IUPAC3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCc1cccc(N2CC3CCCN3CC2CC)c1
InChIInChI=1S/C17H26N2/c1-3-14-7-5-8-16(11-14)19-13-17-9-6-10-18(17)12-15(19)4-2/h5,7-8,11,15,17H,3-4,6,9-10,12-13H2,1-2H3
InChIKeyWHRSRJSXXQAVRM-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.31
Rot. Bonds3

About 3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79931016) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79931016
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCc1cccc(N2CC3CCCN3CC2CC)c1
InChIInChI=1S/C17H26N2/c1-3-14-7-5-8-16(11-14)19-13-17-9-6-10-18(17)12-15(19)4-2/h5,7-8,11,15,17H,3-4,6,9-10,12-13H2,1-2H3
InChIKeyWHRSRJSXXQAVRM-UHFFFAOYSA-N
XLogP3.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

2-(3-bromo-4-fluorophenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 104781766
3-ethyl-2-(3-fluoro-4-methoxyphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939059
3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926226
2-(4-bromo-3-fluorophenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926192
2-(4-bromo-3-chlorophenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 107617350
2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931622
3-ethyl-2-(2,4,5-trifluorophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938956
3-ethyl-2-(3-fluoro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926240
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104
3-ethyl-2-[2-(3-methylphenyl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918721
3-ethyl-2-(2-propylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79917902
2-(2-chloro-4-fluorophenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926838

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79931016) is 3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCc1cccc(N2CC3CCCN3CC2CC)c1.
What is the InChIKey of 3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is WHRSRJSXXQAVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-14-7-5-8-16(11-14)19-13-17-9-6-10-18(17)12-15(19)4-2/h5,7-8,11,15,17H,3-4,6,9-10,12-13H2,1-2H3.
What are the key properties of 3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 258.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-ethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79931016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).