1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine

C15H27N3O3 — CID 105178242

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1ncc(OC)nc1OC
InChIInChI=1S/C15H27N3O3/c1-6-7-16-12(8-11(2)10-19-3)14-15(21-5)18-13(20-4)9-17-14/h9,11-12,16H,6-8,10H2,1-5H3
InChIKeyGOQLHSYHEMFIJZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.21
Rot. Bonds10

About 1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine

1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 105178242) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID105178242
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1ncc(OC)nc1OC
InChIInChI=1S/C15H27N3O3/c1-6-7-16-12(8-11(2)10-19-3)14-15(21-5)18-13(20-4)9-17-14/h9,11-12,16H,6-8,10H2,1-5H3
InChIKeyGOQLHSYHEMFIJZ-UHFFFAOYSA-N
XLogP2.21
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105031186
4-methoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 105178681
N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105178294
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 105030945
N-[2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethyl]propan-1-amine
CID 103169401
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine
CID 107946650
[1-(3,5-dimethoxypyrazin-2-yl)-3-propoxypropyl]hydrazine
CID 105332275
N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107977129
1-(3,5-dimethoxypyrazin-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 105031280
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029167
N-[(3,5-dimethoxypyrazin-2-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105178358

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine (CID 105178242) is 1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)COC)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is GOQLHSYHEMFIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-6-7-16-12(8-11(2)10-19-3)14-15(21-5)18-13(20-4)9-17-14/h9,11-12,16H,6-8,10H2,1-5H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine?
1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 2.21, 10 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)-4-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105178242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).