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

C13H21NO2 — CID 115699316

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCc1ccc(CC)o1
InChIInChI=1S/C13H21NO2/c1-4-12-5-6-13(16-12)9-14-7-8-15-10-11(2)3/h5-6,14H,2,4,7-10H2,1,3H3
InChIKeyHVOZRRGSJGWKAB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.52
Rot. Bonds8

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

N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 115699316) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID115699316
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCc1ccc(CC)o1
InChIInChI=1S/C13H21NO2/c1-4-12-5-6-13(16-12)9-14-7-8-15-10-11(2)3/h5-6,14H,2,4,7-10H2,1,3H3
InChIKeyHVOZRRGSJGWKAB-UHFFFAOYSA-N
XLogP2.52
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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'}

Analyze N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 113258313
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 115699157
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
CID 115697359
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603
N-[(4-iodophenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467379
N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115897877
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 114467087
2-[2-[(5-cyanofuran-2-yl)methylamino]ethoxy]acetamide
CID 106235935

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (CID 115699316) is N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCc1ccc(CC)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is HVOZRRGSJGWKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-12-5-6-13(16-12)9-14-7-8-15-10-11(2)3/h5-6,14H,2,4,7-10H2,1,3H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 115699316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).