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

C17H32N2O — CID 104576466

IUPAC3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1CCC1CCCCO1
InChIInChI=1S/C17H32N2O/c1-2-15-13-18-10-5-3-7-16(18)14-19(15)11-9-17-8-4-6-12-20-17/h15-17H,2-14H2,1H3
InChIKeyVAVZDVZUBGJYMW-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.89
Rot. Bonds4

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

3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 104576466) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID104576466
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1CCC1CCCCO1
InChIInChI=1S/C17H32N2O/c1-2-15-13-18-10-5-3-7-16(18)14-19(15)11-9-17-8-4-6-12-20-17/h15-17H,2-14H2,1H3
InChIKeyVAVZDVZUBGJYMW-UHFFFAOYSA-N
XLogP2.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 104576466) is 3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCC1CN2CCCCC2CN1CCC1CCCCO1.
What is the InChIKey of 3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is VAVZDVZUBGJYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-15-13-18-10-5-3-7-16(18)14-19(15)11-9-17-8-4-6-12-20-17/h15-17H,2-14H2,1H3.
What are the key properties of 3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 280.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 104576466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).