5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione

C15H19BrN2O2 — CID 106674920

IUPAC5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione
SMILESCCC(C)(C)NCCN1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C15H19BrN2O2/c1-4-15(2,3)17-7-8-18-13(19)11-6-5-10(16)9-12(11)14(18)20/h5-6,9,17H,4,7-8H2,1-3H3
InChIKeyOCKPQOXXDFPKMQ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.82
Rot. Bonds5

About 5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione

5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione (PubChem CID 106674920) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione
PubChem CID106674920
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione
SMILESCCC(C)(C)NCCN1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C15H19BrN2O2/c1-4-15(2,3)17-7-8-18-13(19)11-6-5-10(16)9-12(11)14(18)20/h5-6,9,17H,4,7-8H2,1-3H3
InChIKeyOCKPQOXXDFPKMQ-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[3-(methylamino)propyl]isoindole-1,3-dione
CID 61351323
5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione
CID 62664321
5-bromo-2-[2-[3-(dimethylamino)propylamino]ethyl]isoindole-1,3-dione
CID 106674885
5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione
CID 106674883
5-bromo-2-[3-(tert-butylamino)-2-methylpropyl]isoindole-1,3-dione
CID 106674831
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-tert-butylacetamide
CID 86978677
tert-butyl N-[3-[2-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]ethylamino]-3-oxopropyl]carbamate
CID 108919110
6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one
CID 62563597
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N,N-diethylpropanamide
CID 78803351
tert-butyl N-[3-[3-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]propylamino]-3-oxopropyl]carbamate
CID 108921633
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(ethylamino)ethyl]butanamide
CID 119509332
3-(5-bromo-1,3-dioxoisoindol-2-yl)-2-hydroxy-2-methylpropanoic acid
CID 66171633

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione (CID 106674920) is 5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione is CCC(C)(C)NCCN1C(=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of 5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione?
The InChIKey is OCKPQOXXDFPKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-15(2,3)17-7-8-18-13(19)11-6-5-10(16)9-12(11)14(18)20/h5-6,9,17H,4,7-8H2,1-3H3.
What are the key properties of 5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione?
5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione has a molecular weight of 339.23 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(2-methylbutan-2-ylamino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 106674920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).