5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one

C13H19N3O2 — CID 113475446

IUPAC5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one
SMILESCN(c1cc2c(cc1N)CC(=O)N2)C(C)(C)CO
InChIInChI=1S/C13H19N3O2/c1-13(2,7-17)16(3)11-6-10-8(4-9(11)14)5-12(18)15-10/h4,6,17H,5,7,14H2,1-3H3,(H,15,18)
InChIKeyPLBOYKTXBYFZGU-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.97
Rot. Bonds3

About 5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one

5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one (PubChem CID 113475446) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one
PubChem CID113475446
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one
SMILESCN(c1cc2c(cc1N)CC(=O)N2)C(C)(C)CO
InChIInChI=1S/C13H19N3O2/c1-13(2,7-17)16(3)11-6-10-8(4-9(11)14)5-12(18)15-10/h4,6,17H,5,7,14H2,1-3H3,(H,15,18)
InChIKeyPLBOYKTXBYFZGU-UHFFFAOYSA-N
XLogP0.97
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one
CID 63694273
5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43587844
5-amino-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43383177
5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 43451835
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-cyclopropylacetamide
CID 43577859
5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
CID 81059680
5-amino-6-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1,3-dihydroindol-2-one
CID 43588157
6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455612
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43498919
5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)-propan-2-ylamino]propanenitrile
CID 54998527
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one (CID 113475446) is 5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one is CN(c1cc2c(cc1N)CC(=O)N2)C(C)(C)CO.
What is the InChIKey of 5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one?
The InChIKey is PLBOYKTXBYFZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,7-17)16(3)11-6-10-8(4-9(11)14)5-12(18)15-10/h4,6,17H,5,7,14H2,1-3H3,(H,15,18).
What are the key properties of 5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one?
5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 113475446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).