5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione

C11H13N3O2 — CID 21307299

IUPAC5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione
SMILESCN(C)CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C11H13N3O2/c1-13(2)6-14-10(15)8-4-3-7(12)5-9(8)11(14)16/h3-5H,6,12H2,1-2H3
InChIKeyHSBKFCTVLUCKSX-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.38
Rot. Bonds2

About 5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione

5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione (PubChem CID 21307299) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione
PubChem CID21307299
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione
SMILESCN(C)CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C11H13N3O2/c1-13(2)6-14-10(15)8-4-3-7(12)5-9(8)11(14)16/h3-5H,6,12H2,1-2H3
InChIKeyHSBKFCTVLUCKSX-UHFFFAOYSA-N
XLogP0.38
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-[(dimethylamino)methyl]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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione?
The IUPAC name of 5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione (CID 21307299) is 5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione is CN(C)CN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione?
The InChIKey is HSBKFCTVLUCKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-13(2)6-14-10(15)8-4-3-7(12)5-9(8)11(14)16/h3-5H,6,12H2,1-2H3.
What are the key properties of 5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione?
5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione has a molecular weight of 219.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione is sourced from PubChem (CID 21307299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).