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

C11H16N2O4 — CID 113258313

IUPAC2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
SMILESC=C(C)COCCNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H16N2O4/c1-9(2)8-16-6-5-12-7-10-3-4-11(17-10)13(14)15/h3-4,12H,1,5-8H2,2H3
InChIKeyUENGAUWEGZGPGY-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.87
Rot. Bonds8

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

2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine (PubChem CID 113258313) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
PubChem CID113258313
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
SMILESC=C(C)COCCNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H16N2O4/c1-9(2)8-16-6-5-12-7-10-3-4-11(17-10)13(14)15/h3-4,12H,1,5-8H2,2H3
InChIKeyUENGAUWEGZGPGY-UHFFFAOYSA-N
XLogP1.87
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699316
3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43765268
N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine
CID 62338618
3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43771218
N-[(4-bromo-3-nitrophenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699272
N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 115699157
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
N-[(5-nitrofuran-2-yl)methyl]prop-2-en-1-amine
CID 43755376
ethyl 2-[(5-nitrofuran-2-yl)methylamino]acetate
CID 60811614
N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide
CID 112689839
2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitroaniline
CID 114468800
3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904590

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine (CID 113258313) is 2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine is C=C(C)COCCNCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine?
The InChIKey is UENGAUWEGZGPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-9(2)8-16-6-5-12-7-10-3-4-11(17-10)13(14)15/h3-4,12H,1,5-8H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine?
2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine has a molecular weight of 240.26 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 113258313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).