6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole

C11H19N — CID 166905332

IUPAC6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole
SMILESCCC1CCC2=C(C1)N(C)CC2
InChIInChI=1S/C11H19N/c1-3-9-4-5-10-6-7-12(2)11(10)8-9/h9H,3-8H2,1-2H3
InChIKeyRICGYHVLEBKTJB-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.79
Rot. Bonds1

About 6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole

6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole (PubChem CID 166905332) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole.

Molecular Properties

Compound Name6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole
PubChem CID166905332
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole
SMILESCCC1CCC2=C(C1)N(C)CC2
InChIInChI=1S/C11H19N/c1-3-9-4-5-10-6-7-12(2)11(10)8-9/h9H,3-8H2,1-2H3
InChIKeyRICGYHVLEBKTJB-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole?
The IUPAC name of 6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole (CID 166905332) is 6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole.
What is the SMILES notation for 6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole?
The canonical SMILES for 6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole is CCC1CCC2=C(C1)N(C)CC2.
What is the InChIKey of 6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole?
The InChIKey is RICGYHVLEBKTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-9-4-5-10-6-7-12(2)11(10)8-9/h9H,3-8H2,1-2H3.
What are the key properties of 6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole?
6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole has a molecular weight of 165.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-2,3,4,5,6,7-hexahydroindole is sourced from PubChem (CID 166905332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).