1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine

C13H23N3O3 — CID 107946650

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine
SMILESCCCOCC(NCC)c1ncc(OC)nc1OC
InChIInChI=1S/C13H23N3O3/c1-5-7-19-9-10(14-6-2)12-13(18-4)16-11(17-3)8-15-12/h8,10,14H,5-7,9H2,1-4H3
InChIKeyAJBZZUYGUWVPJX-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.57
Rot. Bonds9

About 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine

1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine (PubChem CID 107946650) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine
PubChem CID107946650
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine
SMILESCCCOCC(NCC)c1ncc(OC)nc1OC
InChIInChI=1S/C13H23N3O3/c1-5-7-19-9-10(14-6-2)12-13(18-4)16-11(17-3)8-15-12/h8,10,14H,5-7,9H2,1-4H3
InChIKeyAJBZZUYGUWVPJX-UHFFFAOYSA-N
XLogP1.57
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-2-propoxyethanamine
CID 107946647
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 105030945
[1-(3,5-dimethoxypyrazin-2-yl)-3-propoxypropyl]hydrazine
CID 105332275
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029167
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224
1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105178242
N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105178294
3-cyclopentyl-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
CID 105031097
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103216140
1-(3,5-dimethoxypyrazin-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105031186
N-[(3,5-dimethoxypyrazin-2-yl)-pyridin-4-ylmethyl]ethanamine
CID 105065997
N-[2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethyl]propan-1-amine
CID 103169401

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine (CID 107946650) is 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine is CCCOCC(NCC)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine?
The InChIKey is AJBZZUYGUWVPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-7-19-9-10(14-6-2)12-13(18-4)16-11(17-3)8-15-12/h8,10,14H,5-7,9H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine?
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine has a molecular weight of 269.34 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine is sourced from PubChem (CID 107946650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).