5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione

C15H20BrN3O2 — CID 106674885

IUPAC5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione
SMILESCN(C)CCCNCCN1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C15H20BrN3O2/c1-18(2)8-3-6-17-7-9-19-14(20)12-5-4-11(16)10-13(12)15(19)21/h4-5,10,17H,3,6-9H2,1-2H3
InChIKeySSVASWXGMPBYFR-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.59
Rot. Bonds7

About 5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione

5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione (PubChem CID 106674885) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione
PubChem CID106674885
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione
SMILESCN(C)CCCNCCN1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C15H20BrN3O2/c1-18(2)8-3-6-17-7-9-19-14(20)12-5-4-11(16)10-13(12)15(19)21/h4-5,10,17H,3,6-9H2,1-2H3
InChIKeySSVASWXGMPBYFR-UHFFFAOYSA-N
XLogP1.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-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

1-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl]-3-[3-(dimethylamino)propyl]urea
CID 108889864
5-bromo-2-[3-(methylamino)propyl]isoindole-1,3-dione
CID 61351323
1-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl]-3-[3-(diethylamino)propyl]urea
CID 108889863
5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione
CID 106674920
5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione
CID 62664321
N-[3-[benzyl(methyl)amino]propyl]-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide
CID 41306817
5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione
CID 106674883
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]butanamide
CID 39467985
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(ethylamino)ethyl]butanamide
CID 119509332
5-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 61017162
5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione
CID 62664853
2-[3-(dimethylamino)propyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 9079192

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione (CID 106674885) is 5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione is CN(C)CCCNCCN1C(=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of 5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione?
The InChIKey is SSVASWXGMPBYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-18(2)8-3-6-17-7-9-19-14(20)12-5-4-11(16)10-13(12)15(19)21/h4-5,10,17H,3,6-9H2,1-2H3.
What are the key properties of 5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione?
5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione has a molecular weight of 354.25 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 106674885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).