5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

C17H22N2 — CID 84635404

IUPAC5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCCc1ccc2c(c1)c(C1=CCNCC1)c(C)n2C
InChIInChI=1S/C17H22N2/c1-4-13-5-6-16-15(11-13)17(12(2)19(16)3)14-7-9-18-10-8-14/h5-7,11,18H,4,8-10H2,1-3H3
InChIKeyWLJQYYXXEUZIRP-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.43
Rot. Bonds2

About 5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 84635404) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID84635404
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCCc1ccc2c(c1)c(C1=CCNCC1)c(C)n2C
InChIInChI=1S/C17H22N2/c1-4-13-5-6-16-15(11-13)17(12(2)19(16)3)14-7-9-18-10-8-14/h5-7,11,18H,4,8-10H2,1-3H3
InChIKeyWLJQYYXXEUZIRP-UHFFFAOYSA-N
XLogP3.43
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 84638446
6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 84644816
8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 82492833
1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 84635413
5-(5-ethyl-1,2-dimethylindol-3-yl)-1,2-oxazol-3-amine
CID 84742247
1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 53212734
2-(5-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495226
3-(cyclohexen-1-yl)-1,2-dimethylindole
CID 15619846
5-ethyl-1-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)indole
CID 176569380
6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923521
(E)-3-(5-ethyl-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82497374
2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone
CID 96678992

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 84635404) is 5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is CCc1ccc2c(c1)c(C1=CCNCC1)c(C)n2C.
What is the InChIKey of 5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is WLJQYYXXEUZIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-13-5-6-16-15(11-13)17(12(2)19(16)3)14-7-9-18-10-8-14/h5-7,11,18H,4,8-10H2,1-3H3.
What are the key properties of 5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 254.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 84635404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).