2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone

C15H20N2O — CID 904242

IUPAC2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
SMILESCCN(CC)CC(=O)c1c[nH]c2cc(C)ccc12
InChIInChI=1S/C15H20N2O/c1-4-17(5-2)10-15(18)13-9-16-14-8-11(3)6-7-12(13)14/h6-9,16H,4-5,10H2,1-3H3
InChIKeyPUUYXYNZNVBUAW-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.00
Rot. Bonds5

About 2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone

2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone (PubChem CID 904242) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
PubChem CID904242
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
SMILESCCN(CC)CC(=O)c1c[nH]c2cc(C)ccc12
InChIInChI=1S/C15H20N2O/c1-4-17(5-2)10-15(18)13-9-16-14-8-11(3)6-7-12(13)14/h6-9,16H,4-5,10H2,1-3H3
InChIKeyPUUYXYNZNVBUAW-UHFFFAOYSA-N
XLogP3.00
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679
1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43341943
2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
CID 114457331
1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone
CID 913288
3-but-1-en-2-yl-6-methyl-1H-indole
CID 167211722
2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 43163430
2-chloro-1-(6-methyl-1H-indol-3-yl)propan-1-one
CID 43163342
(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24823778
3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile
CID 62035138
1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 96679275
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 2013269

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone (CID 904242) is 2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone is CCN(CC)CC(=O)c1c[nH]c2cc(C)ccc12.
What is the InChIKey of 2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone?
The InChIKey is PUUYXYNZNVBUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-17(5-2)10-15(18)13-9-16-14-8-11(3)6-7-12(13)14/h6-9,16H,4-5,10H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone?
2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone has a molecular weight of 244.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 904242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).