1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one

C17H24N2O — CID 170210991

IUPAC1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one
SMILESCCC(NC)C(=O)c1cn(CC)c2cc(C)c(C)cc12
InChIInChI=1S/C17H24N2O/c1-6-15(18-5)17(20)14-10-19(7-2)16-9-12(4)11(3)8-13(14)16/h8-10,15,18H,6-7H2,1-5H3
InChIKeyCOGPLFYVWVSUSD-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.46
Rot. Bonds5

About 1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one

1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one (PubChem CID 170210991) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one
PubChem CID170210991
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one
SMILESCCC(NC)C(=O)c1cn(CC)c2cc(C)c(C)cc12
InChIInChI=1S/C17H24N2O/c1-6-15(18-5)17(20)14-10-19(7-2)16-9-12(4)11(3)8-13(14)16/h8-10,15,18H,6-7H2,1-5H3
InChIKeyCOGPLFYVWVSUSD-UHFFFAOYSA-N
XLogP3.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one?
The IUPAC name of 1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one (CID 170210991) is 1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one.
What is the SMILES notation for 1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one?
The canonical SMILES for 1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one is CCC(NC)C(=O)c1cn(CC)c2cc(C)c(C)cc12.
What is the InChIKey of 1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one?
The InChIKey is COGPLFYVWVSUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-6-15(18-5)17(20)14-10-19(7-2)16-9-12(4)11(3)8-13(14)16/h8-10,15,18H,6-7H2,1-5H3.
What are the key properties of 1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one?
1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one has a molecular weight of 272.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one is sourced from PubChem (CID 170210991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).