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

C12H19N3O — CID 66449392

IUPACN-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine
SMILESC=CCCOc1cncc(CNC(C)C)n1
InChIInChI=1S/C12H19N3O/c1-4-5-6-16-12-9-13-7-11(15-12)8-14-10(2)3/h4,7,9-10,14H,1,5-6,8H2,2-3H3
InChIKeyKZYFHOFVHTVWDT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.93
Rot. Bonds7

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

N-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine (PubChem CID 66449392) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine
PubChem CID66449392
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine
SMILESC=CCCOc1cncc(CNC(C)C)n1
InChIInChI=1S/C12H19N3O/c1-4-5-6-16-12-9-13-7-11(15-12)8-14-10(2)3/h4,7,9-10,14H,1,5-6,8H2,2-3H3
InChIKeyKZYFHOFVHTVWDT-UHFFFAOYSA-N
XLogP1.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.93
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]propan-2-amine?
The IUPAC name of N-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine (CID 66449392) is N-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine is C=CCCOc1cncc(CNC(C)C)n1.
What is the InChIKey of N-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine?
The InChIKey is KZYFHOFVHTVWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-5-6-16-12-9-13-7-11(15-12)8-14-10(2)3/h4,7,9-10,14H,1,5-6,8H2,2-3H3.
What are the key properties of N-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine?
N-[(6-but-3-enoxypyrazin-2-yl)methyl]propan-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.93, 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]propan-2-amine is sourced from PubChem (CID 66449392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).