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

C13H19N3O — CID 82290174

IUPAC5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
SMILESCN(C)CC(N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H19N3O/c1-15(2)8-11(14)9-4-5-12-10(6-9)7-13(17)16(12)3/h4-6,11H,7-8,14H2,1-3H3
InChIKeyJWGBINFFUPBOCB-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.77
Rot. Bonds3

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

5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one (PubChem CID 82290174) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
PubChem CID82290174
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
SMILESCN(C)CC(N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H19N3O/c1-15(2)8-11(14)9-4-5-12-10(6-9)7-13(17)16(12)3/h4-6,11H,7-8,14H2,1-3H3
InChIKeyJWGBINFFUPBOCB-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
CID 82301189
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
5-[2-amino-1-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290175
5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
CID 103162728
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
CID 43119634
3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116848766
5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
CID 43119558
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119610
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one (CID 82290174) is 5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one is CN(C)CC(N)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one?
The InChIKey is JWGBINFFUPBOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15(2)8-11(14)9-4-5-12-10(6-9)7-13(17)16(12)3/h4-6,11H,7-8,14H2,1-3H3.
What are the key properties of 5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one?
5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82290174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).