2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione

C12H14N2O2 — CID 103429602

IUPAC2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(CCN)C2=O
InChIInChI=1S/C12H14N2O2/c1-7-3-4-8(2)10-9(7)11(15)14(6-5-13)12(10)16/h3-4H,5-6,13H2,1-2H3
InChIKeyPPKSGOXDIWBVCB-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.86
Rot. Bonds2

About 2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione

2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione (PubChem CID 103429602) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione
PubChem CID103429602
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(CCN)C2=O
InChIInChI=1S/C12H14N2O2/c1-7-3-4-8(2)10-9(7)11(15)14(6-5-13)12(10)16/h3-4H,5-6,13H2,1-2H3
InChIKeyPPKSGOXDIWBVCB-UHFFFAOYSA-N
XLogP0.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.86
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

2-(3-hydroxypropyl)-4,7-dimethylisoindole-1,3-dione
CID 103430866
2-[2-(cyclopropylamino)ethyl]-4,7-dimethylisoindole-1,3-dione
CID 103430945
2-[3-(2-hydroxyethoxy)propyl]-4,7-dimethylisoindole-1,3-dione
CID 106304964
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
2-(2-aminoethyl)-4-bromoisoindole-1,3-dione
CID 117031724
2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione
CID 103430846
2-[(4-bromophenyl)methyl]-4,7-dimethylisoindole-1,3-dione
CID 103430526
2-(2-hydroxy-4,4-dimethylpentyl)-4,7-dimethylisoindole-1,3-dione
CID 107155469
(5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 109375747
5-amino-2-(2-aminoethyl)isoindole-1,3-dione
CID 82506823
4,7-dimethyl-2-propan-2-ylisoindole-1,3-dione
CID 176633116
2-[(3-aminophenyl)methyl]-4,7-dimethylisoindole-1,3-dione
CID 103429560

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione (CID 103429602) is 2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(CCN)C2=O.
What is the InChIKey of 2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione?
The InChIKey is PPKSGOXDIWBVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-3-4-8(2)10-9(7)11(15)14(6-5-13)12(10)16/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione?
2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione has a molecular weight of 218.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103429602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).