1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one

C13H19N3O — CID 115195920

IUPAC1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
SMILESCNCCN1C(=O)Cc2cc(CNC)ccc21
InChIInChI=1S/C13H19N3O/c1-14-5-6-16-12-4-3-10(9-15-2)7-11(12)8-13(16)17/h3-4,7,14-15H,5-6,8-9H2,1-2H3
InChIKeyRKTARDGBRUZBEN-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.51
Rot. Bonds5

About 1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one

1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one (PubChem CID 115195920) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
PubChem CID115195920
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
SMILESCNCCN1C(=O)Cc2cc(CNC)ccc21
InChIInChI=1S/C13H19N3O/c1-14-5-6-16-12-4-3-10(9-15-2)7-11(12)8-13(16)17/h3-4,7,14-15H,5-6,8-9H2,1-2H3
InChIKeyRKTARDGBRUZBEN-UHFFFAOYSA-N
XLogP0.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
1,5-bis(methylaminomethyl)-3H-indol-2-one
CID 115226998
1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 115262042
5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
CID 115234861
1-[2-(ethylamino)ethyl]-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115206096
3-[5-[2-(methylamino)ethyl]-2-oxo-3H-indol-1-yl]propanenitrile
CID 115231217
5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one
CID 115225243
2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile
CID 115253922
1-methyl-6-(methylaminomethyl)-3H-indol-2-one
CID 82603428
5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 115206450
1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115136265
1-(4-aminophenyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 117041280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one?
The IUPAC name of 1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one (CID 115195920) is 1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one?
The canonical SMILES for 1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one is CNCCN1C(=O)Cc2cc(CNC)ccc21.
What is the InChIKey of 1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one?
The InChIKey is RKTARDGBRUZBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-5-6-16-12-4-3-10(9-15-2)7-11(12)8-13(16)17/h3-4,7,14-15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one?
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one is sourced from PubChem (CID 115195920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).