N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine

C11H17N3O — CID 66449192

IUPACN-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine
SMILESC=CCCOc1cncc(CNCC)n1
InChIInChI=1S/C11H17N3O/c1-3-5-6-15-11-9-13-8-10(14-11)7-12-4-2/h3,8-9,12H,1,4-7H2,2H3
InChIKeyDYAPCUJUYMVNOL-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.54
Rot. Bonds7

About N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine

N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine (PubChem CID 66449192) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine
PubChem CID66449192
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine
SMILESC=CCCOc1cncc(CNCC)n1
InChIInChI=1S/C11H17N3O/c1-3-5-6-15-11-9-13-8-10(14-11)7-12-4-2/h3,8-9,12H,1,4-7H2,2H3
InChIKeyDYAPCUJUYMVNOL-UHFFFAOYSA-N
XLogP1.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine (CID 66449192) is N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine is C=CCCOc1cncc(CNCC)n1.
What is the InChIKey of N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine?
The InChIKey is DYAPCUJUYMVNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-5-6-15-11-9-13-8-10(14-11)7-12-4-2/h3,8-9,12H,1,4-7H2,2H3.
What are the key properties of N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine?
N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-but-3-enoxypyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 66449192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).