3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine

C10H16N2O4 — CID 43765268

IUPAC3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
SMILESCCOCCCNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H16N2O4/c1-2-15-7-3-6-11-8-9-4-5-10(16-9)12(13)14/h4-5,11H,2-3,6-8H2,1H3
InChIKeyZUFGSQMFNUYVOA-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.70
Rot. Bonds8

About 3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine

3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine (PubChem CID 43765268) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
PubChem CID43765268
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
SMILESCCOCCCNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H16N2O4/c1-2-15-7-3-6-11-8-9-4-5-10(16-9)12(13)14/h4-5,11H,2-3,6-8H2,1H3
InChIKeyZUFGSQMFNUYVOA-UHFFFAOYSA-N
XLogP1.70
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43771218
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-3-ethoxypropan-1-amine
CID 119107664
2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 113258313
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
CID 115697359
N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine
CID 62338618
ethyl 2-[(5-nitrofuran-2-yl)methylamino]acetate
CID 60811614
3-(4-methylpiperazin-1-yl)-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43768210
N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
CID 115584528
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide
CID 112689839
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-2-ethoxyethanamine
CID 119108100
3-(5-methyl-1H-pyrazol-4-yl)-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 62040035

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine (CID 43765268) is 3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine is CCOCCCNCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine?
The InChIKey is ZUFGSQMFNUYVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-15-7-3-6-11-8-9-4-5-10(16-9)12(13)14/h4-5,11H,2-3,6-8H2,1H3.
What are the key properties of 3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine?
3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine has a molecular weight of 228.25 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43765268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).