2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine

C11H19N3O2 — CID 79548304

IUPAC2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCCOC(CNCc1cnccn1)OCC
InChIInChI=1S/C11H19N3O2/c1-3-15-11(16-4-2)9-13-8-10-7-12-5-6-14-10/h5-7,11,13H,3-4,8-9H2,1-2H3
InChIKeyHWYZIBQPEQGAOL-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.97
Rot. Bonds8

About 2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine

2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 79548304) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID79548304
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCCOC(CNCc1cnccn1)OCC
InChIInChI=1S/C11H19N3O2/c1-3-15-11(16-4-2)9-13-8-10-7-12-5-6-14-10/h5-7,11,13H,3-4,8-9H2,1-2H3
InChIKeyHWYZIBQPEQGAOL-UHFFFAOYSA-N
XLogP0.97
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55122186
N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63826777
N-[(5-methylpyrazin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 65806253
2-(2,2-difluoroethoxy)-N-(pyrazin-2-ylmethyl)ethanamine
CID 105906014
2-[[6-[(2-Hydroxyethylamino)methyl]pyrazin-2-yl]methylamino]ethanol
CID 22457925
2-[[5-[(2-Hydroxyethylamino)methyl]pyrazin-2-yl]methylamino]ethanol
CID 22457985
2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine
CID 62544779
2-[(5-Methylpyrazin-2-yl)methylamino]ethanol
CID 62846639
2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62544780
3-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62761084
3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62761438
3-methoxy-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62761439

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine (CID 79548304) is 2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine is CCOC(CNCc1cnccn1)OCC.
What is the InChIKey of 2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is HWYZIBQPEQGAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-15-11(16-4-2)9-13-8-10-7-12-5-6-14-10/h5-7,11,13H,3-4,8-9H2,1-2H3.
What are the key properties of 2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine?
2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 79548304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).