1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole

C20H28N2 — CID 162295453

IUPAC1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole
SMILESCC1CC2(C)CCC1(C)C(C)N2c1cc2ccccc2n1C
InChIInChI=1S/C20H28N2/c1-14-13-19(3)10-11-20(14,4)15(2)22(19)18-12-16-8-6-7-9-17(16)21(18)5/h6-9,12,14-15H,10-11,13H2,1-5H3
InChIKeyJYTGUMXFLNSQQF-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.97
Rot. Bonds1

About 1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole

1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole (PubChem CID 162295453) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole.

Molecular Properties

Compound Name1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole
PubChem CID162295453
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole
SMILESCC1CC2(C)CCC1(C)C(C)N2c1cc2ccccc2n1C
InChIInChI=1S/C20H28N2/c1-14-13-19(3)10-11-20(14,4)15(2)22(19)18-12-16-8-6-7-9-17(16)21(18)5/h6-9,12,14-15H,10-11,13H2,1-5H3
InChIKeyJYTGUMXFLNSQQF-UHFFFAOYSA-N
XLogP4.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole with MolForge

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Launch Full Analysis

Related Compounds

8,10-dimethyl-9-(1-methylindol-2-yl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;8,10-dimethyl-9-(1-methylindol-2-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(1-methylindol-2-yl)-2-azatricyclo[2.2.2.21,4]decane;10-methyl-9-(1-methylindol-2-yl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole
CID 162295981
2-[(2S)-2,3-dimethyl-1,3-diazepan-1-yl]-1-methylindole
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(6S)-6,7-dimethyl-5-(1-methylindol-2-yl)-6H-benzo[d][1,3]benzodiazepine
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(10S)-8,10-dimethyl-9-(1-methylindol-2-yl)-4-[1-methyl-2-[(10S)-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl]indol-5-yl]-1,9-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
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CID 175336040
CID 175336040
1-(1-methylindol-2-yl)cyclobutan-1-ol
CID 102201161
5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
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(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole?
The IUPAC name of 1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole (CID 162295453) is 1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole.
What is the SMILES notation for 1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole?
The canonical SMILES for 1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole is CC1CC2(C)CCC1(C)C(C)N2c1cc2ccccc2n1C.
What is the InChIKey of 1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole?
The InChIKey is JYTGUMXFLNSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-14-13-19(3)10-11-20(14,4)15(2)22(19)18-12-16-8-6-7-9-17(16)21(18)5/h6-9,12,14-15H,10-11,13H2,1-5H3.
What are the key properties of 1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole?
1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole has a molecular weight of 296.46 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.2]octan-2-yl)indole is sourced from PubChem (CID 162295453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).