1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole

C13H21N — CID 166657806

IUPAC1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole
SMILESCCC1C(C)C2=C(CCC=C2)N1CC
InChIInChI=1S/C13H21N/c1-4-12-10(3)11-8-6-7-9-13(11)14(12)5-2/h6,8,10,12H,4-5,7,9H2,1-3H3
InChIKeyQXWIUVYDTDOVKH-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.34
Rot. Bonds2

About 1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole

1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole (PubChem CID 166657806) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole.

Molecular Properties

Compound Name1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole
PubChem CID166657806
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole
SMILESCCC1C(C)C2=C(CCC=C2)N1CC
InChIInChI=1S/C13H21N/c1-4-12-10(3)11-8-6-7-9-13(11)14(12)5-2/h6,8,10,12H,4-5,7,9H2,1-3H3
InChIKeyQXWIUVYDTDOVKH-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole?
The IUPAC name of 1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole (CID 166657806) is 1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole.
What is the SMILES notation for 1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole?
The canonical SMILES for 1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole is CCC1C(C)C2=C(CCC=C2)N1CC.
What is the InChIKey of 1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole?
The InChIKey is QXWIUVYDTDOVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-12-10(3)11-8-6-7-9-13(11)14(12)5-2/h6,8,10,12H,4-5,7,9H2,1-3H3.
What are the key properties of 1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole?
1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole has a molecular weight of 191.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole is sourced from PubChem (CID 166657806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).