3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C18H36N2 — CID 107818471

IUPAC3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCCCC(CC)CN1CC2CCCCN2CC1CC
InChIInChI=1S/C18H36N2/c1-4-7-10-16(5-2)13-20-15-18-11-8-9-12-19(18)14-17(20)6-3/h16-18H,4-15H2,1-3H3
InChIKeyIRUMJEZFZUBSKC-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.15
Rot. Bonds7

About 3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 107818471) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID107818471
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCCCC(CC)CN1CC2CCCCN2CC1CC
InChIInChI=1S/C18H36N2/c1-4-7-10-16(5-2)13-20-15-18-11-8-9-12-19(18)14-17(20)6-3/h16-18H,4-15H2,1-3H3
InChIKeyIRUMJEZFZUBSKC-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

3-ethyl-2-octan-4-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106027236
[1-(2-ethylhexyl)piperidin-2-yl]methanol
CID 62021752
3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 103740100
2-butyl-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926630
1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol
CID 104627949
3-ethyl-2-(2-prop-2-ynylsulfanylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106432742
3-ethyl-2-(oxan-3-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824881
3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104576466
3-ethyl-2-(pyridin-4-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926305
(3S,9aR)-3-ethyl-2-(pyridin-4-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 97161241
2-ethyl-1-(2-ethylhexyl)-5-propylpiperazine
CID 64846777
2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine
CID 115824890

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 107818471) is 3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCCCC(CC)CN1CC2CCCCN2CC1CC.
What is the InChIKey of 3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is IRUMJEZFZUBSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-7-10-16(5-2)13-20-15-18-11-8-9-12-19(18)14-17(20)6-3/h16-18H,4-15H2,1-3H3.
What are the key properties of 3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 280.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 107818471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).