N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine

C15H27N3O3 — CID 105178294

IUPACN-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)c1ncc(OC)nc1OC
InChIInChI=1S/C15H27N3O3/c1-7-8-16-11(10-21-15(2,3)4)13-14(20-6)18-12(19-5)9-17-13/h9,11,16H,7-8,10H2,1-6H3
InChIKeyAPDXAUBHKASTAG-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.35
Rot. Bonds8

About N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine

N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine (PubChem CID 105178294) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
PubChem CID105178294
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)c1ncc(OC)nc1OC
InChIInChI=1S/C15H27N3O3/c1-7-8-16-11(10-21-15(2,3)4)13-14(20-6)18-12(19-5)9-17-13/h9,11,16H,7-8,10H2,1-6H3
InChIKeyAPDXAUBHKASTAG-UHFFFAOYSA-N
XLogP2.35
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105178242
1-(3,5-dimethoxypyrazin-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105031186
N-[2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethyl]propan-1-amine
CID 103169401
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine
CID 107946650
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029167
N-[1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105175348
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 105030945
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
N-[(3,5-dimethoxypyrazin-2-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105178358
N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031226

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine (CID 105178294) is N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine is CCCNC(COC(C)(C)C)c1ncc(OC)nc1OC.
What is the InChIKey of N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The InChIKey is APDXAUBHKASTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-7-8-16-11(10-21-15(2,3)4)13-14(20-6)18-12(19-5)9-17-13/h9,11,16H,7-8,10H2,1-6H3.
What are the key properties of N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine is sourced from PubChem (CID 105178294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).