3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C92H121N11 — CID 162296021

IUPAC3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCc1cc(C)c(N2C(C)C3(C)CC2(C)c2ccccc23)c(C)n1.Cc1cc(C)c(N2C(C)N3CC2(C)c2ccccc23)c(C)n1.Cc1cc(C)c(N2C3CC(c4ccccc43)C2C)c(C)n1.Cc1cc(C)c(N2C3CCC(C)(CC3)C2C)c(C)n1.Cc1cc(C)c(N2C3CCC(CC3)C2C)c(C)n1
InChIInChI=1S/C21H26N2.C19H23N3.C19H22N2.C17H26N2.C16H24N2/c1-13-11-14(2)22-15(3)19(13)23-16(4)20(5)12-21(23,6)18-10-8-7-9-17(18)20;1-12-10-13(2)20-14(3)18(12)22-15(4)21-11-19(22,5)16-8-6-7-9-17(16)21;1-11-9-12(2)20-13(3)19(11)21-14(4)17-10-18(21)16-8-6-5-7-15(16)17;1-11-10-12(2)18-13(3)16(11)19-14(4)17(5)8-6-15(19)7-9-17;1-10-9-11(2)17-12(3)16(10)18-13(4)14-5-7-15(18)8-6-14/h7-11,16H,12H2,1-6H3;6-10,15H,11H2,1-5H3;5-9,14,17-18H,10H2,1-4H3;10,14-15H,6-9H2,1-5H3;9,13-15H,5-8H2,1-4H3
InChIKeyMNSIYAZIUIOAHF-UHFFFAOYSA-N
MW1381.06 g/mol
LogP21.08
Rot. Bonds5

About 3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 162296021) has the molecular formula C92H121N11 and a molecular weight of 1381.06 g/mol. Its IUPAC name is 3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID162296021
Molecular FormulaC92H121N11
Molecular Weight1381.06 g/mol
Exact Mass1379.98
IUPAC Name3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCc1cc(C)c(N2C(C)C3(C)CC2(C)c2ccccc23)c(C)n1.Cc1cc(C)c(N2C(C)N3CC2(C)c2ccccc23)c(C)n1.Cc1cc(C)c(N2C3CC(c4ccccc43)C2C)c(C)n1.Cc1cc(C)c(N2C3CCC(C)(CC3)C2C)c(C)n1.Cc1cc(C)c(N2C3CCC(CC3)C2C)c(C)n1
InChIInChI=1S/C21H26N2.C19H23N3.C19H22N2.C17H26N2.C16H24N2/c1-13-11-14(2)22-15(3)19(13)23-16(4)20(5)12-21(23,6)18-10-8-7-9-17(18)20;1-12-10-13(2)20-14(3)18(12)22-15(4)21-11-19(22,5)16-8-6-7-9-17(16)21;1-11-9-12(2)20-13(3)19(11)21-14(4)17-10-18(21)16-8-6-5-7-15(16)17;1-11-10-12(2)18-13(3)16(11)19-14(4)17(5)8-6-15(19)7-9-17;1-10-9-11(2)17-12(3)16(10)18-13(4)14-5-7-15(18)8-6-14/h7-11,16H,12H2,1-6H3;6-10,15H,11H2,1-5H3;5-9,14,17-18H,10H2,1-4H3;10,14-15H,6-9H2,1-5H3;9,13-15H,5-8H2,1-4H3
InChIKeyMNSIYAZIUIOAHF-UHFFFAOYSA-N
XLogP21.08
TPSA83.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.06
LogP ≤ 521.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene with MolForge

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Related Compounds

1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 162296028
(10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 137454483
8-(1,3-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(10,11-dimethyl-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-trien-9-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(3-methyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296094
(10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 137454690
2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole
CID 162296054
(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
CID 137454421
8-(2,4-dimethyl-1,3-diazabicyclo[2.2.1]heptan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(10-methyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(3,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296029
2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-6-methylpyrimidine-4-carbonitrile
CID 136542274
1,3-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3,4-dimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;3-methyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5,6-pentamethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4,5-tetramethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane;1,3,4-trimethyl-2-(2-methylphenyl)-2-azabicyclo[2.2.1]heptane
CID 162296110
(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706481
5-[2-(7,8-dimethyl-8H-purin-9-yl)phenyl]-3b-methyl-1-(2,4,6-trimethylphenyl)-7,7a-dihydro-4H-phenanthro[9,10-b]pyrrole
CID 126760112
8-[(3S)-3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 137454841

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 162296021) is 3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is Cc1cc(C)c(N2C(C)C3(C)CC2(C)c2ccccc23)c(C)n1.Cc1cc(C)c(N2C(C)N3CC2(C)c2ccccc23)c(C)n1.Cc1cc(C)c(N2C3CC(c4ccccc43)C2C)c(C)n1.Cc1cc(C)c(N2C3CCC(C)(CC3)C2C)c(C)n1.Cc1cc(C)c(N2C3CCC(CC3)C2C)c(C)n1.
What is the InChIKey of 3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is MNSIYAZIUIOAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2.C19H23N3.C19H22N2.C17H26N2.C16H24N2/c1-13-11-14(2)22-15(3)19(13)23-16(4)20(5)12-21(23,6)18-10-8-7-9-17(18)20;1-12-10-13(2)20-14(3)18(12)22-15(4)21-11-19(22,5)16-8-6-7-9-17(16)21;1-11-9-12(2)20-13(3)19(11)21-14(4)17-10-18(21)16-8-6-5-7-15(16)17;1-11-10-12(2)18-13(3)16(11)19-14(4)17(5)8-6-15(19)7-9-17;1-10-9-11(2)17-12(3)16(10)18-13(4)14-5-7-15(18)8-6-14/h7-11,16H,12H2,1-6H3;6-10,15H,11H2,1-5H3;5-9,14,17-18H,10H2,1-4H3;10,14-15H,6-9H2,1-5H3;9,13-15H,5-8H2,1-4H3.
What are the key properties of 3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 1381.06 g/mol, XLogP of 21.08, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;8,10-dimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-1,9-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene;3-methyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.2]octane;10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;1,8,10-trimethyl-9-(2,4,6-trimethyl-3-pyridinyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 162296021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).