2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine

C14H21N3O4 — CID 104676250

IUPAC2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccnc2[N+](=O)[O-])C1OCC
InChIInChI=1S/C14H21N3O4/c1-3-7-15-10-9-12(13(10)20-4-2)21-11-6-5-8-16-14(11)17(18)19/h5-6,8,10,12-13,15H,3-4,7,9H2,1-2H3
InChIKeyCSYQOUOPACKKIM-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.91
Rot. Bonds8

About 2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine

2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine (PubChem CID 104676250) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine
PubChem CID104676250
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccnc2[N+](=O)[O-])C1OCC
InChIInChI=1S/C14H21N3O4/c1-3-7-15-10-9-12(13(10)20-4-2)21-11-6-5-8-16-14(11)17(18)19/h5-6,8,10,12-13,15H,3-4,7,9H2,1-2H3
InChIKeyCSYQOUOPACKKIM-UHFFFAOYSA-N
XLogP1.91
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[(2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine
CID 107943455
3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675988
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
3-[(2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-one
CID 107942268
2-ethoxy-N-ethyl-3-(2-methyl-3-nitrophenoxy)cyclobutan-1-amine
CID 104676361
3-(2-bromo-5-nitrophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 103013202
3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675985
3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676536
3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676247
2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 104674385
N-methyl-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine
CID 107943626
2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
CID 104676122

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine (CID 104676250) is 2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cccnc2[N+](=O)[O-])C1OCC.
What is the InChIKey of 2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine?
The InChIKey is CSYQOUOPACKKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-7-15-10-9-12(13(10)20-4-2)21-11-6-5-8-16-14(11)17(18)19/h5-6,8,10,12-13,15H,3-4,7,9H2,1-2H3.
What are the key properties of 2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine?
2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine has a molecular weight of 295.34 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104676250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).