2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane

C115H137N7O5 — CID 162297052

IUPAC2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane
SMILESCc1cc2oc3ccccc3c2cc1N1C(C)C2(C)CCC1(C)C(C)C2C.Cc1cc2oc3ccccc3c2cc1N1C(C)C2(C)CCC1(C)CC2.Cc1cc2oc3ccccc3c2cc1N1C(C)C2(C)CCC1(C)CC2C.Cc1cc2oc3ccccc3c2cc1N1C(C)N2CCC1(C)CC2.Cc1cc2oc3ccccc3c2cc1N1C(C)N2CCC1(C)CC2C
InChIInChI=1S/C25H31NO.C24H29NO.C23H27NO.C22H26N2O.C21H24N2O/c1-15-13-23-20(19-9-7-8-10-22(19)27-23)14-21(15)26-18(4)24(5)11-12-25(26,6)17(3)16(24)2;1-15-12-22-19(18-8-6-7-9-21(18)26-22)13-20(15)25-17(3)24(5)11-10-23(25,4)14-16(24)2;1-15-13-21-18(17-7-5-6-8-20(17)25-21)14-19(15)24-16(2)22(3)9-11-23(24,4)12-10-22;1-14-11-21-18(17-7-5-6-8-20(17)25-21)12-19(14)24-16(3)23-10-9-22(24,4)13-15(23)2;1-14-12-20-17(16-6-4-5-7-19(16)24-20)13-18(14)23-15(2)22-10-8-21(23,3)9-11-22/h7-10,13-14,16-18H,11-12H2,1-6H3;6-9,12-13,16-17H,10-11,14H2,1-5H3;5-8,13-14,16H,9-12H2,1-4H3;5-8,11-12,15-16H,9-10,13H2,1-4H3;4-7,12-13,15H,8-11H2,1-3H3
InChIKeyGDVYELMUCWFXGL-UHFFFAOYSA-N
MW1697.40 g/mol
LogP30.28
Rot. Bonds5

About 2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane

2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane (PubChem CID 162297052) has the molecular formula C115H137N7O5 and a molecular weight of 1697.40 g/mol. Its IUPAC name is 2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane
PubChem CID162297052
Molecular FormulaC115H137N7O5
Molecular Weight1697.40 g/mol
Exact Mass1696.07
IUPAC Name2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane
SMILESCc1cc2oc3ccccc3c2cc1N1C(C)C2(C)CCC1(C)C(C)C2C.Cc1cc2oc3ccccc3c2cc1N1C(C)C2(C)CCC1(C)CC2.Cc1cc2oc3ccccc3c2cc1N1C(C)C2(C)CCC1(C)CC2C.Cc1cc2oc3ccccc3c2cc1N1C(C)N2CCC1(C)CC2.Cc1cc2oc3ccccc3c2cc1N1C(C)N2CCC1(C)CC2C
InChIInChI=1S/C25H31NO.C24H29NO.C23H27NO.C22H26N2O.C21H24N2O/c1-15-13-23-20(19-9-7-8-10-22(19)27-23)14-21(15)26-18(4)24(5)11-12-25(26,6)17(3)16(24)2;1-15-12-22-19(18-8-6-7-9-21(18)26-22)13-20(15)25-17(3)24(5)11-10-23(25,4)14-16(24)2;1-15-13-21-18(17-7-5-6-8-20(17)25-21)14-19(15)24-16(2)22(3)9-11-23(24,4)12-10-22;1-14-11-21-18(17-7-5-6-8-20(17)25-21)12-19(14)24-16(3)23-10-9-22(24,4)13-15(23)2;1-14-12-20-17(16-6-4-5-7-19(16)24-20)13-18(14)23-15(2)22-10-8-21(23,3)9-11-22/h7-10,13-14,16-18H,11-12H2,1-6H3;6-9,12-13,16-17H,10-11,14H2,1-5H3;5-8,13-14,16H,9-12H2,1-4H3;5-8,11-12,15-16H,9-10,13H2,1-4H3;4-7,12-13,15H,8-11H2,1-3H3
InChIKeyGDVYELMUCWFXGL-UHFFFAOYSA-N
XLogP30.28
TPSA88.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001697.40
LogP ≤ 530.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane with MolForge

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Related Compounds

(3S)-1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 137454517
3,4-dimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 162296056
3-[(2S)-2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl]-2-methyl-9-phenylcarbazole
CID 137454846
(3S)-2,3-dimethyl-4-(3-methyldibenzofuran-2-yl)-3,5-dihydro-1H-2,4-benzodiazepine
CID 137454756
(10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454524
1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 165097703
CID 164706114
CID 164706114
6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane
CID 162296779
2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane
CID 162295435
(2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole
CID 170175055
(4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine
CID 162706540
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane?
The IUPAC name of 2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane (CID 162297052) is 2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane is Cc1cc2oc3ccccc3c2cc1N1C(C)C2(C)CCC1(C)C(C)C2C.Cc1cc2oc3ccccc3c2cc1N1C(C)C2(C)CCC1(C)CC2.Cc1cc2oc3ccccc3c2cc1N1C(C)C2(C)CCC1(C)CC2C.Cc1cc2oc3ccccc3c2cc1N1C(C)N2CCC1(C)CC2.Cc1cc2oc3ccccc3c2cc1N1C(C)N2CCC1(C)CC2C.
What is the InChIKey of 2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane?
The InChIKey is GDVYELMUCWFXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO.C24H29NO.C23H27NO.C22H26N2O.C21H24N2O/c1-15-13-23-20(19-9-7-8-10-22(19)27-23)14-21(15)26-18(4)24(5)11-12-25(26,6)17(3)16(24)2;1-15-12-22-19(18-8-6-7-9-21(18)26-22)13-20(15)25-17(3)24(5)11-10-23(25,4)14-16(24)2;1-15-13-21-18(17-7-5-6-8-20(17)25-21)14-19(15)24-16(2)22(3)9-11-23(24,4)12-10-22;1-14-11-21-18(17-7-5-6-8-20(17)25-21)12-19(14)24-16(3)23-10-9-22(24,4)13-15(23)2;1-14-12-20-17(16-6-4-5-7-19(16)24-20)13-18(14)23-15(2)22-10-8-21(23,3)9-11-22/h7-10,13-14,16-18H,11-12H2,1-6H3;6-9,12-13,16-17H,10-11,14H2,1-5H3;5-8,13-14,16H,9-12H2,1-4H3;5-8,11-12,15-16H,9-10,13H2,1-4H3;4-7,12-13,15H,8-11H2,1-3H3.
What are the key properties of 2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane?
2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane has a molecular weight of 1697.40 g/mol, XLogP of 30.28, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane;1,3,4,5,6-pentamethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;1,3,4-trimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane;2,4,6-trimethyl-3-(3-methyldibenzofuran-2-yl)-1,3-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 162297052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).