2-[(Dipropylamino)methyl]isoindole-1,3-dione

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Basic information

CAS: 66399-06-2
Standard SMILES: CCCN(CCC)CN1C(=O)c2ccccc2C1=O
InChIKey: MQRWFRAFKLPMBJ-UHFFFAOYSA-N
Molecular formula: C15H20N2O2
Average molar mass: 260.33 g/mol
Monoisotopic mass: 260.15247789

Names & identifiers

Preferred name: 2-[(Dipropylamino)methyl]isoindole-1,3-dione
IUPAC: 2-[(dipropylamino)methyl]isoindole-1,3-dione

Names & synonyms

2-[(dipropylamino)methyl]isoindole-1,3-dioneCHEMBL13654366399-06-2NSC362648DTXSID00320634BDBM50133936NSC-3626482-Dipropylaminomethyl-isoindole-1,3-dioneDS-0037882-[(Dipropylamino)methyl]-1H-isoindole-1,3(2H)-dione

Database identifiers

CAS: 66399-06-2
PubChem CID: 338743
DTXSID: DTXSID00320634
ChEMBL: CHEMBL136543

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 313

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Compound notes

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