3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C18H30N2S — CID 79915981

IUPAC3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1C(C)Cc1ccc(C)s1
InChIInChI=1S/C18H30N2S/c1-4-16-12-19-10-6-5-7-17(19)13-20(16)14(2)11-18-9-8-15(3)21-18/h8-9,14,16-17H,4-7,10-13H2,1-3H3
InChIKeyCKRRPJHKZVNOPB-UHFFFAOYSA-N
MW306.52 g/mol
LogP3.94
Rot. Bonds4

About 3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79915981) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79915981
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1C(C)Cc1ccc(C)s1
InChIInChI=1S/C18H30N2S/c1-4-16-12-19-10-6-5-7-17(19)13-20(16)14(2)11-18-9-8-15(3)21-18/h8-9,14,16-17H,4-7,10-13H2,1-3H3
InChIKeyCKRRPJHKZVNOPB-UHFFFAOYSA-N
XLogP3.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276
2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine
CID 64936688
2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941278
3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 113478249
5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64936876
2-(1-cyclopropylpropan-2-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939722
3-ethyl-2-(1-phenylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918313
3-ethyl-2-(1-thiophen-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939374
3-ethyl-2-octan-4-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106027236
3-ethyl-2-(1-methylsulfonylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939120
3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 113486761
(3R,8aR)-3-methyl-2-[(5-methylthiophen-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792176

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79915981) is 3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCC1CN2CCCCC2CN1C(C)Cc1ccc(C)s1.
What is the InChIKey of 3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is CKRRPJHKZVNOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-4-16-12-19-10-6-5-7-17(19)13-20(16)14(2)11-18-9-8-15(3)21-18/h8-9,14,16-17H,4-7,10-13H2,1-3H3.
What are the key properties of 3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 306.52 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79915981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).