2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine

C13H21NO2 — CID 115770524

IUPAC2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1ccc(CC)o1
InChIInChI=1S/C13H21NO2/c1-3-5-9-15-10-8-14-11-13-7-6-12(4-2)16-13/h3,6-7,14H,1,4-5,8-11H2,2H3
InChIKeyVURKIYDTNNBVDI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.52
Rot. Bonds9

About 2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine

2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine (PubChem CID 115770524) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
PubChem CID115770524
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1ccc(CC)o1
InChIInChI=1S/C13H21NO2/c1-3-5-9-15-10-8-14-11-13-7-6-12(4-2)16-13/h3,6-7,14H,1,4-5,8-11H2,2H3
InChIKeyVURKIYDTNNBVDI-UHFFFAOYSA-N
XLogP2.52
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699316
N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 106410031
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
CID 115697359
1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine
CID 62443034
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603
methyl 4-[(2-but-3-enoxyethylamino)methyl]benzoate
CID 103923899
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 103578738
2-but-3-enoxy-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 113339105
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine (CID 115770524) is 2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine is C=CCCOCCNCc1ccc(CC)o1.
What is the InChIKey of 2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine?
The InChIKey is VURKIYDTNNBVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-5-9-15-10-8-14-11-13-7-6-12(4-2)16-13/h3,6-7,14H,1,4-5,8-11H2,2H3.
What are the key properties of 2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine?
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 115770524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).