2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine

C14H27N3O — CID 82835938

IUPAC2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine
SMILESNCC(C1CCCO1)N1CCN2CCCCC2C1
InChIInChI=1S/C14H27N3O/c15-10-13(14-5-3-9-18-14)17-8-7-16-6-2-1-4-12(16)11-17/h12-14H,1-11,15H2
InChIKeyZWNGWJUKAJMTEG-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.66
Rot. Bonds3

About 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 82835938) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID82835938
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine
SMILESNCC(C1CCCO1)N1CCN2CCCCC2C1
InChIInChI=1S/C14H27N3O/c15-10-13(14-5-3-9-18-14)17-8-7-16-6-2-1-4-12(16)11-17/h12-14H,1-11,15H2
InChIKeyZWNGWJUKAJMTEG-UHFFFAOYSA-N
XLogP0.66
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine (CID 82835938) is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine is NCC(C1CCCO1)N1CCN2CCCCC2C1.
What is the InChIKey of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is ZWNGWJUKAJMTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-10-13(14-5-3-9-18-14)17-8-7-16-6-2-1-4-12(16)11-17/h12-14H,1-11,15H2.
What are the key properties of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine?
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 82835938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).