2,6-diethyl-3H-indole

C12H15N — CID 89025789

IUPAC2,6-diethyl-3H-indole
SMILESCCC1=Nc2cc(CC)ccc2C1
InChIInChI=1S/C12H15N/c1-3-9-5-6-10-8-11(4-2)13-12(10)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyPXTPLMMIARRWAU-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.29
Rot. Bonds2

About 2,6-diethyl-3H-indole

2,6-diethyl-3H-indole (PubChem CID 89025789) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,6-diethyl-3H-indole.

Molecular Properties

Compound Name2,6-diethyl-3H-indole
PubChem CID89025789
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2,6-diethyl-3H-indole
SMILESCCC1=Nc2cc(CC)ccc2C1
InChIInChI=1S/C12H15N/c1-3-9-5-6-10-8-11(4-2)13-12(10)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyPXTPLMMIARRWAU-UHFFFAOYSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-3H-indole?
The IUPAC name of 2,6-diethyl-3H-indole (CID 89025789) is 2,6-diethyl-3H-indole.
What is the SMILES notation for 2,6-diethyl-3H-indole?
The canonical SMILES for 2,6-diethyl-3H-indole is CCC1=Nc2cc(CC)ccc2C1.
What is the InChIKey of 2,6-diethyl-3H-indole?
The InChIKey is PXTPLMMIARRWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-9-5-6-10-8-11(4-2)13-12(10)7-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2,6-diethyl-3H-indole?
2,6-diethyl-3H-indole has a molecular weight of 173.26 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-3H-indole is sourced from PubChem (CID 89025789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).