2-ethyl-2,3,6-trimethyl-1,3-dihydroindole

C13H19N — CID 117193770

IUPAC2-ethyl-2,3,6-trimethyl-1,3-dihydroindole
SMILESCCC1(C)Nc2cc(C)ccc2C1C
InChIInChI=1S/C13H19N/c1-5-13(4)10(3)11-7-6-9(2)8-12(11)14-13/h6-8,10,14H,5H2,1-4H3
InChIKeyUVXMGCDYNWGZOP-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.69
Rot. Bonds1

About 2-ethyl-2,3,6-trimethyl-1,3-dihydroindole

2-ethyl-2,3,6-trimethyl-1,3-dihydroindole (PubChem CID 117193770) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-ethyl-2,3,6-trimethyl-1,3-dihydroindole.

Molecular Properties

Compound Name2-ethyl-2,3,6-trimethyl-1,3-dihydroindole
PubChem CID117193770
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-ethyl-2,3,6-trimethyl-1,3-dihydroindole
SMILESCCC1(C)Nc2cc(C)ccc2C1C
InChIInChI=1S/C13H19N/c1-5-13(4)10(3)11-7-6-9(2)8-12(11)14-13/h6-8,10,14H,5H2,1-4H3
InChIKeyUVXMGCDYNWGZOP-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2,3,4,7-tetramethyl-3,4-dihydro-1H-quinoline
CID 117193884
2,2,3,5-tetramethyl-1,3-dihydroindole
CID 117193754
2-ethyl-2,6-dimethyl-1,3-dihydroindole
CID 13401896
propane;1,3,6-trimethyl-2,3-dihydroindazole
CID 145052504
3-amino-6-methyl-1,3-dihydroindol-2-one
CID 71306235
3,3-diethyl-7-methyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115431539
3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 11571880
2,6,9,10-tetramethyl-9,10-dihydroanthracene
CID 140827349
3,6,9,9-tetramethyl-10H-acridine
CID 155683472
4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
CID 79442417
2,4-diethyl-2,6-dimethyl-1H-quinoline
CID 4528207
2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
CID 83259966

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,6-trimethyl-1,3-dihydroindole?
The IUPAC name of 2-ethyl-2,3,6-trimethyl-1,3-dihydroindole (CID 117193770) is 2-ethyl-2,3,6-trimethyl-1,3-dihydroindole.
What is the SMILES notation for 2-ethyl-2,3,6-trimethyl-1,3-dihydroindole?
The canonical SMILES for 2-ethyl-2,3,6-trimethyl-1,3-dihydroindole is CCC1(C)Nc2cc(C)ccc2C1C.
What is the InChIKey of 2-ethyl-2,3,6-trimethyl-1,3-dihydroindole?
The InChIKey is UVXMGCDYNWGZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-5-13(4)10(3)11-7-6-9(2)8-12(11)14-13/h6-8,10,14H,5H2,1-4H3.
What are the key properties of 2-ethyl-2,3,6-trimethyl-1,3-dihydroindole?
2-ethyl-2,3,6-trimethyl-1,3-dihydroindole has a molecular weight of 189.30 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,6-trimethyl-1,3-dihydroindole is sourced from PubChem (CID 117193770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).