5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one

C13H19N3O — CID 115226209

IUPAC5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one
SMILESCN(CN)CCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H19N3O/c1-15(9-14)6-5-10-3-4-12-11(7-10)8-13(17)16(12)2/h3-4,7H,5-6,8-9,14H2,1-2H3
InChIKeyBOMUWGPQOFOICL-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.60
Rot. Bonds4

About 5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one

5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one (PubChem CID 115226209) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one
PubChem CID115226209
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one
SMILESCN(CN)CCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H19N3O/c1-15(9-14)6-5-10-3-4-12-11(7-10)8-13(17)16(12)2/h3-4,7H,5-6,8-9,14H2,1-2H3
InChIKeyBOMUWGPQOFOICL-UHFFFAOYSA-N
XLogP0.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one
CID 115228405
5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115216242
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one
CID 115121498
4-(1-methyl-2-oxo-3H-indol-5-yl)butanenitrile
CID 82471108
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one
CID 96669267
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099
1-methyl-5-[2-methyl-2-(methylamino)propyl]-3H-indol-2-one
CID 82289780
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913

Frequently Asked Questions

What is the IUPAC name of 5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one (CID 115226209) is 5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one is CN(CN)CCc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one?
The InChIKey is BOMUWGPQOFOICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15(9-14)6-5-10-3-4-12-11(7-10)8-13(17)16(12)2/h3-4,7H,5-6,8-9,14H2,1-2H3.
What are the key properties of 5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one?
5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 115226209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).