N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine

C13H23N3O — CID 105032262

IUPACN-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine
SMILESCCNC(c1nccnc1OC)C(C)C(C)C
InChIInChI=1S/C13H23N3O/c1-6-14-11(10(4)9(2)3)12-13(17-5)16-8-7-15-12/h7-11,14H,6H2,1-5H3
InChIKeyVEDCKPLFUCYCNK-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.43
Rot. Bonds6

About N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine

N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine (PubChem CID 105032262) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine
PubChem CID105032262
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine
SMILESCCNC(c1nccnc1OC)C(C)C(C)C
InChIInChI=1S/C13H23N3O/c1-6-14-11(10(4)9(2)3)12-13(17-5)16-8-7-15-12/h7-11,14H,6H2,1-5H3
InChIKeyVEDCKPLFUCYCNK-UHFFFAOYSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-methoxy-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 114054421
1-(3-methoxypyrazin-2-yl)-N,2-dimethylbutan-1-amine
CID 104515585
N-ethyl-4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 105178647
2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 116721761
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 104515805
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 104515547
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 104515498
N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515338
2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515656
N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515889
1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 114054565
1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 104515370

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine (CID 105032262) is N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine is CCNC(c1nccnc1OC)C(C)C(C)C.
What is the InChIKey of N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine?
The InChIKey is VEDCKPLFUCYCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-14-11(10(4)9(2)3)12-13(17-5)16-8-7-15-12/h7-11,14H,6H2,1-5H3.
What are the key properties of N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine?
N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 105032262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).