5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one

C13H19N3O — CID 116932622

IUPAC5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)C(C)(C)N)ccc21
InChIInChI=1S/C13H19N3O/c1-13(2,15)12(14)8-4-5-10-9(6-8)7-11(17)16(10)3/h4-6,12H,7,14-15H2,1-3H3
InChIKeyOYJWLISMKWXUSX-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.94
Rot. Bonds2

About 5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one

5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one (PubChem CID 116932622) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
PubChem CID116932622
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)C(C)(C)N)ccc21
InChIInChI=1S/C13H19N3O/c1-13(2,15)12(14)8-4-5-10-9(6-8)7-11(17)16(10)3/h4-6,12H,7,14-15H2,1-3H3
InChIKeyOYJWLISMKWXUSX-UHFFFAOYSA-N
XLogP0.94
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
2-amino-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 116850751
5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 43119586
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
CID 61087034
5-(1-bromo-2,2,2-trifluoroethyl)-1-methyl-3H-indol-2-one
CID 61097937

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one (CID 116932622) is 5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(N)C(C)(C)N)ccc21.
What is the InChIKey of 5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one?
The InChIKey is OYJWLISMKWXUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,15)12(14)8-4-5-10-9(6-8)7-11(17)16(10)3/h4-6,12H,7,14-15H2,1-3H3.
What are the key properties of 5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one?
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116932622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).