N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine

C10H16N2O4 — CID 62338618

IUPACN-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine
SMILESCCCNCCOCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H16N2O4/c1-2-5-11-6-7-15-8-9-3-4-10(16-9)12(13)14/h3-4,11H,2,5-8H2,1H3
InChIKeyOHVXIVUCBZMEMI-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.70
Rot. Bonds8

About N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine

N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine (PubChem CID 62338618) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine
PubChem CID62338618
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC NameN-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine
SMILESCCCNCCOCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H16N2O4/c1-2-5-11-6-7-15-8-9-3-4-10(16-9)12(13)14/h3-4,11H,2,5-8H2,1H3
InChIKeyOHVXIVUCBZMEMI-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

2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 113258313
3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43765268
N-[2-[(2-chloro-4-nitrophenyl)methoxy]ethyl]propan-1-amine
CID 62337246
O-[(5-nitrofuran-2-yl)methyl]hydroxylamine
CID 79427799
2-(dipropoxyphosphorylmethyl)-5-nitrofuran
CID 71392787
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
bis[(5-nitrofuran-2-yl)methyl] carbonate
CID 175203098
2-methyl-2-[2-[[2-methyl-4-[(5-nitrofuran-2-yl)methoxy]-3-oxobutan-2-yl]amino]oxyethylamino]pentan-3-one
CID 18929143
2-nitro-5-[[(5-nitrofuran-2-yl)methoxy-propan-2-ylphosphoryl]oxymethyl]furan
CID 129013384
N-[2-(4-nitrophenoxy)ethyl]propan-1-amine;hydrochloride
CID 70552691
N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine
CID 142657545
N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55077409

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine (CID 62338618) is N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine is CCCNCCOCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine?
The InChIKey is OHVXIVUCBZMEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-5-11-6-7-15-8-9-3-4-10(16-9)12(13)14/h3-4,11H,2,5-8H2,1H3.
What are the key properties of N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine?
N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]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 N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine is sourced from PubChem (CID 62338618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).