1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione

C14H22Br2N2O6 — CID 165429916

IUPAC1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione
SMILESNCCOCCOCCOCCOCCN1C(=O)C(Br)=C(Br)C1=O
InChIInChI=1S/C14H22Br2N2O6/c15-11-12(16)14(20)18(13(11)19)2-4-22-6-8-24-10-9-23-7-5-21-3-1-17/h1-10,17H2
InChIKeyJVMYDKGZGDOGJX-UHFFFAOYSA-N
MW474.15 g/mol
LogP0.38
Rot. Bonds14

About 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione

1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione (PubChem CID 165429916) has the molecular formula C14H22Br2N2O6 and a molecular weight of 474.15 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione
PubChem CID165429916
Molecular FormulaC14H22Br2N2O6
Molecular Weight474.15 g/mol
Exact Mass471.98
IUPAC Name1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione
SMILESNCCOCCOCCOCCOCCN1C(=O)C(Br)=C(Br)C1=O
InChIInChI=1S/C14H22Br2N2O6/c15-11-12(16)14(20)18(13(11)19)2-4-22-6-8-24-10-9-23-7-5-21-3-1-17/h1-10,17H2
InChIKeyJVMYDKGZGDOGJX-UHFFFAOYSA-N
XLogP0.38
TPSA100.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.15
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione 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

tert-butyl 3-[2-[2-[2-[2-(3,4-dibromo-2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 123132050
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
CID 155906513
6-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-[2-[2-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethoxy]ethoxy]ethyl]benzo[de]isoquinoline-1,3-dione
CID 165150092
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 103482320
9-bicyclo[6.1.0]non-4-ynyl 4-[2-[2-(3,4-dibromo-2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]butanoate
CID 146906449
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
1-[2-(2-aminoethoxy)ethyl]benzo[cd]indol-2-one
CID 103482297
6-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-[2-[2-[2-[6-[2-[2-[2-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]ethoxy]ethoxy]ethylamino]-1,3-dioxobenzo[de]isoquinolin-2-yl]ethoxy]ethoxy]ethyl]benzo[de]isoquinoline-1,3-dione
CID 86275855
2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 13028612
2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 156773068
1-[2-(2-aminoethoxy)ethyl]-4-methylpiperazine-2,3-dione
CID 103482343

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione (CID 165429916) is 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione is NCCOCCOCCOCCOCCN1C(=O)C(Br)=C(Br)C1=O.
What is the InChIKey of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione?
The InChIKey is JVMYDKGZGDOGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Br2N2O6/c15-11-12(16)14(20)18(13(11)19)2-4-22-6-8-24-10-9-23-7-5-21-3-1-17/h1-10,17H2.
What are the key properties of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione?
1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione has a molecular weight of 474.15 g/mol, XLogP of 0.38, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3,4-dibromopyrrole-2,5-dione is sourced from PubChem (CID 165429916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).