5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride

C12H19Cl2N3O — CID 70421420

IUPAC5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride
SMILESCCN1C(=O)C(C)(C)c2cc(N)c(N)cc21.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-4-15-10-6-9(14)8(13)5-7(10)12(2,3)11(15)16;;/h5-6H,4,13-14H2,1-3H3;2*1H
InChIKeyCDBTVKDGZGEGEY-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.34
Rot. Bonds1

About 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride

5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride (PubChem CID 70421420) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride.

Molecular Properties

Compound Name5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride
PubChem CID70421420
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride
SMILESCCN1C(=O)C(C)(C)c2cc(N)c(N)cc21.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-4-15-10-6-9(14)8(13)5-7(10)12(2,3)11(15)16;;/h5-6H,4,13-14H2,1-3H3;2*1H
InChIKeyCDBTVKDGZGEGEY-UHFFFAOYSA-N
XLogP2.34
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride 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 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride?
The IUPAC name of 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride (CID 70421420) is 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride.
What is the SMILES notation for 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride?
The canonical SMILES for 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride is CCN1C(=O)C(C)(C)c2cc(N)c(N)cc21.Cl.Cl.
What is the InChIKey of 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride?
The InChIKey is CDBTVKDGZGEGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2ClH/c1-4-15-10-6-9(14)8(13)5-7(10)12(2,3)11(15)16;;/h5-6H,4,13-14H2,1-3H3;2*1H.
What are the key properties of 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride?
5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride is sourced from PubChem (CID 70421420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).