2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine

C15H27N3O2 — CID 116721761

IUPAC2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1nccnc1OC)C(OCC)C(C)C
InChIInChI=1S/C15H27N3O2/c1-6-8-16-12(14(11(3)4)20-7-2)13-15(19-5)18-10-9-17-13/h9-12,14,16H,6-8H2,1-5H3
InChIKeyWNAGDOXEFUKKHI-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.59
Rot. Bonds9

About 2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine

2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine (PubChem CID 116721761) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
PubChem CID116721761
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1nccnc1OC)C(OCC)C(C)C
InChIInChI=1S/C15H27N3O2/c1-6-8-16-12(14(11(3)4)20-7-2)13-15(19-5)18-10-9-17-13/h9-12,14,16H,6-8H2,1-5H3
InChIKeyWNAGDOXEFUKKHI-UHFFFAOYSA-N
XLogP2.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 105032098
2-ethoxy-1-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
CID 116727206
N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine
CID 105032262
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622
4-methoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 105178681
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
CID 116721748
2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 104515831
2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine
CID 112744067
1-(3-methoxypyrazin-2-yl)-N,2-dimethylbutan-1-amine
CID 104515585
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923780
N-[(1-ethoxycyclopentyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 116762484
N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine (CID 116721761) is 2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine is CCCNC(c1nccnc1OC)C(OCC)C(C)C.
What is the InChIKey of 2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is WNAGDOXEFUKKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-8-16-12(14(11(3)4)20-7-2)13-15(19-5)18-10-9-17-13/h9-12,14,16H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine?
2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116721761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).