2,6-diethyl-1-methylindole

C13H17N — CID 118283612

IUPAC2,6-diethyl-1-methylindole
SMILESCCc1ccc2cc(CC)n(C)c2c1
InChIInChI=1S/C13H17N/c1-4-10-6-7-11-9-12(5-2)14(3)13(11)8-10/h6-9H,4-5H2,1-3H3
InChIKeyKECJAZIBMKALLB-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.30
Rot. Bonds2

About 2,6-diethyl-1-methylindole

2,6-diethyl-1-methylindole (PubChem CID 118283612) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2,6-diethyl-1-methylindole.

Molecular Properties

Compound Name2,6-diethyl-1-methylindole
PubChem CID118283612
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2,6-diethyl-1-methylindole
SMILESCCc1ccc2cc(CC)n(C)c2c1
InChIInChI=1S/C13H17N/c1-4-10-6-7-11-9-12(5-2)14(3)13(11)8-10/h6-9H,4-5H2,1-3H3
InChIKeyKECJAZIBMKALLB-UHFFFAOYSA-N
XLogP3.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-1-methylindole?
The IUPAC name of 2,6-diethyl-1-methylindole (CID 118283612) is 2,6-diethyl-1-methylindole.
What is the SMILES notation for 2,6-diethyl-1-methylindole?
The canonical SMILES for 2,6-diethyl-1-methylindole is CCc1ccc2cc(CC)n(C)c2c1.
What is the InChIKey of 2,6-diethyl-1-methylindole?
The InChIKey is KECJAZIBMKALLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-10-6-7-11-9-12(5-2)14(3)13(11)8-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 2,6-diethyl-1-methylindole?
2,6-diethyl-1-methylindole has a molecular weight of 187.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1-methylindole is sourced from PubChem (CID 118283612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).