5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one

C13H20N4O — CID 63694273

IUPAC5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one
SMILESCN(C)CCN(C)c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H20N4O/c1-16(2)4-5-17(3)12-8-11-9(6-10(12)14)7-13(18)15-11/h6,8H,4-5,7,14H2,1-3H3,(H,15,18)
InChIKeyARBNGRUYCWRYIJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.76
Rot. Bonds4

About 5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one

5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one (PubChem CID 63694273) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one
PubChem CID63694273
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one
SMILESCN(C)CCN(C)c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H20N4O/c1-16(2)4-5-17(3)12-8-11-9(6-10(12)14)7-13(18)15-11/h6,8H,4-5,7,14H2,1-3H3,(H,15,18)
InChIKeyARBNGRUYCWRYIJ-UHFFFAOYSA-N
XLogP0.76
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one (CID 63694273) is 5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one is CN(C)CCN(C)c1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one?
The InChIKey is ARBNGRUYCWRYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(2)4-5-17(3)12-8-11-9(6-10(12)14)7-13(18)15-11/h6,8H,4-5,7,14H2,1-3H3,(H,15,18).
What are the key properties of 5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one?
5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(dimethylamino)ethyl-methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63694273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).