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

C13H23N3O2 — CID 105030945

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1ncc(OC)nc1OC
InChIInChI=1S/C13H23N3O2/c1-6-14-10(7-9(2)3)12-13(18-5)16-11(17-4)8-15-12/h8-10,14H,6-7H2,1-5H3
InChIKeyBDRHUWXCSMCCCK-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.19
Rot. Bonds7

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

1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 105030945) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine
PubChem CID105030945
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1ncc(OC)nc1OC
InChIInChI=1S/C13H23N3O2/c1-6-14-10(7-9(2)3)12-13(18-5)16-11(17-4)8-15-12/h8-10,14H,6-7H2,1-5H3
InChIKeyBDRHUWXCSMCCCK-UHFFFAOYSA-N
XLogP2.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029167
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine
CID 107946650
1-(3,5-dimethoxypyrazin-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105031186
1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105178242
3-cyclopentyl-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
CID 105031097
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
CID 105031029
1-(3,5-dimethoxypyrazin-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 105031280
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224
N-[(3,5-dimethoxypyrazin-2-yl)-pyridin-4-ylmethyl]ethanamine
CID 105065997
N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105178294
N-[2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethyl]propan-1-amine
CID 103169401
[1-(3,5-dimethoxypyrazin-2-yl)-3-propoxypropyl]hydrazine
CID 105332275

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine (CID 105030945) is 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine is CCNC(CC(C)C)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is BDRHUWXCSMCCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-14-10(7-9(2)3)12-13(18-5)16-11(17-4)8-15-12/h8-10,14H,6-7H2,1-5H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine?
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 105030945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).