1-ethyl-4,6-dimethylindole

C12H15N — CID 118407006

IUPAC1-ethyl-4,6-dimethylindole
SMILESCCn1ccc2c(C)cc(C)cc21
InChIInChI=1S/C12H15N/c1-4-13-6-5-11-10(3)7-9(2)8-12(11)13/h5-8H,4H2,1-3H3
InChIKeyHQPCXUOFWRCTKH-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.28
Rot. Bonds1

About 1-ethyl-4,6-dimethylindole

1-ethyl-4,6-dimethylindole (PubChem CID 118407006) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-ethyl-4,6-dimethylindole.

Molecular Properties

Compound Name1-ethyl-4,6-dimethylindole
PubChem CID118407006
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-ethyl-4,6-dimethylindole
SMILESCCn1ccc2c(C)cc(C)cc21
InChIInChI=1S/C12H15N/c1-4-13-6-5-11-10(3)7-9(2)8-12(11)13/h5-8H,4H2,1-3H3
InChIKeyHQPCXUOFWRCTKH-UHFFFAOYSA-N
XLogP3.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033
(-)-Agroclavine
CID 73484
Iprindole
CID 21722
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,6-dimethylindole?
The IUPAC name of 1-ethyl-4,6-dimethylindole (CID 118407006) is 1-ethyl-4,6-dimethylindole.
What is the SMILES notation for 1-ethyl-4,6-dimethylindole?
The canonical SMILES for 1-ethyl-4,6-dimethylindole is CCn1ccc2c(C)cc(C)cc21.
What is the InChIKey of 1-ethyl-4,6-dimethylindole?
The InChIKey is HQPCXUOFWRCTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-4-13-6-5-11-10(3)7-9(2)8-12(11)13/h5-8H,4H2,1-3H3.
What are the key properties of 1-ethyl-4,6-dimethylindole?
1-ethyl-4,6-dimethylindole has a molecular weight of 173.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,6-dimethylindole is sourced from PubChem (CID 118407006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).