1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane

C24H32N4O2 — CID 143888300

IUPAC1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane
SMILESCC.[H]/N=C(/CC/C=C/c1cccc(-c2nc(C=C)c(C=C)nc2OC)c1)OC(C)N
InChIInChI=1S/C22H26N4O2.C2H6/c1-5-18-19(6-2)26-22(27-4)21(25-18)17-12-9-11-16(14-17)10-7-8-13-20(24)28-15(3)23;1-2/h5-7,9-12,14-15,24H,1-2,8,13,23H2,3-4H3;1-2H3/b10-7+,24-20-;
InChIKeyHVHLVOUXONTRNS-ZZXZRUEFSA-N
MW408.55 g/mol
LogP5.56
Rot. Bonds9

About 1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane

1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane (PubChem CID 143888300) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane.

Molecular Properties

Compound Name1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane
PubChem CID143888300
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane
SMILESCC.[H]/N=C(/CC/C=C/c1cccc(-c2nc(C=C)c(C=C)nc2OC)c1)OC(C)N
InChIInChI=1S/C22H26N4O2.C2H6/c1-5-18-19(6-2)26-22(27-4)21(25-18)17-12-9-11-16(14-17)10-7-8-13-20(24)28-15(3)23;1-2/h5-7,9-12,14-15,24H,1-2,8,13,23H2,3-4H3;1-2H3/b10-7+,24-20-;
InChIKeyHVHLVOUXONTRNS-ZZXZRUEFSA-N
XLogP5.56
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane with MolForge

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Related Compounds

2-Butoxy-3-(3,4-dimethylphenyl)pyrazine
CID 172435828
2,3,5-Trimethoxy-6-phenylpyrazine
CID 91152531
2-(4-Fluorophenyl)-3-methoxy-5,6-dimethylpyrazine
CID 59866279
[2-Fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methanamine
CID 104516141
N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine
CID 104516188
N-[[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine
CID 104516198
1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine
CID 104516199
1-[4-Fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine
CID 104516214
N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine
CID 104516215
N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]ethanamine
CID 104516218
N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-2-amine
CID 104516219
N-[[2-fluoro-5-(3-methoxypyrazin-2-yl)phenyl]methyl]cyclopropanamine
CID 104516220

Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane?
The IUPAC name of 1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane (CID 143888300) is 1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane.
What is the SMILES notation for 1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane?
The canonical SMILES for 1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane is CC.[H]/N=C(/CC/C=C/c1cccc(-c2nc(C=C)c(C=C)nc2OC)c1)OC(C)N.
What is the InChIKey of 1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane?
The InChIKey is HVHLVOUXONTRNS-ZZXZRUEFSA-N. The full InChI is InChI=1S/C22H26N4O2.C2H6/c1-5-18-19(6-2)26-22(27-4)21(25-18)17-12-9-11-16(14-17)10-7-8-13-20(24)28-15(3)23;1-2/h5-7,9-12,14-15,24H,1-2,8,13,23H2,3-4H3;1-2H3/b10-7+,24-20-;.
What are the key properties of 1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane?
1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane has a molecular weight of 408.55 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane is sourced from PubChem (CID 143888300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).