6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione

C16H22N2O2 — CID 81308900

IUPAC6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione
SMILESCC(N(C)c1ccc2c(c1)N(C)C(=O)C2=O)C(C)(C)C
InChIInChI=1S/C16H22N2O2/c1-10(16(2,3)4)17(5)11-7-8-12-13(9-11)18(6)15(20)14(12)19/h7-10H,1-6H3
InChIKeyJVHGFTFVBWTEGP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.72
Rot. Bonds2

About 6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione

6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione (PubChem CID 81308900) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione
PubChem CID81308900
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione
SMILESCC(N(C)c1ccc2c(c1)N(C)C(=O)C2=O)C(C)(C)C
InChIInChI=1S/C16H22N2O2/c1-10(16(2,3)4)17(5)11-7-8-12-13(9-11)18(6)15(20)14(12)19/h7-10H,1-6H3
InChIKeyJVHGFTFVBWTEGP-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione?
The IUPAC name of 6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione (CID 81308900) is 6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione.
What is the SMILES notation for 6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione?
The canonical SMILES for 6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione is CC(N(C)c1ccc2c(c1)N(C)C(=O)C2=O)C(C)(C)C.
What is the InChIKey of 6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione?
The InChIKey is JVHGFTFVBWTEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(16(2,3)4)17(5)11-7-8-12-13(9-11)18(6)15(20)14(12)19/h7-10H,1-6H3.
What are the key properties of 6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione?
6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione has a molecular weight of 274.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,3-dimethylbutan-2-yl(methyl)amino]-1-methylindole-2,3-dione is sourced from PubChem (CID 81308900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).