9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane

C39H48N6 — CID 162296717

IUPAC9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane
SMILESCC1N(C)C2CCC(c3ccccc32)N1c1cc2ccccc2n1C.CC1N2CCCC(CC2)N1c1cc2ccccc2n1C
InChIInChI=1S/C22H25N3.C17H23N3/c1-15-23(2)20-12-13-21(18-10-6-5-9-17(18)20)25(15)22-14-16-8-4-7-11-19(16)24(22)3;1-13-19-10-5-7-15(9-11-19)20(13)17-12-14-6-3-4-8-16(14)18(17)2/h4-11,14-15,20-21H,12-13H2,1-3H3;3-4,6,8,12-13,15H,5,7,9-11H2,1-2H3
InChIKeyHTQDJILIKYNWPV-UHFFFAOYSA-N
MW600.86 g/mol
LogP8.05
Rot. Bonds2

About 9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane

9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane (PubChem CID 162296717) has the molecular formula C39H48N6 and a molecular weight of 600.86 g/mol. Its IUPAC name is 9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane
PubChem CID162296717
Molecular FormulaC39H48N6
Molecular Weight600.86 g/mol
Exact Mass600.39
IUPAC Name9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane
SMILESCC1N(C)C2CCC(c3ccccc32)N1c1cc2ccccc2n1C.CC1N2CCCC(CC2)N1c1cc2ccccc2n1C
InChIInChI=1S/C22H25N3.C17H23N3/c1-15-23(2)20-12-13-21(18-10-6-5-9-17(18)20)25(15)22-14-16-8-4-7-11-19(16)24(22)3;1-13-19-10-5-7-15(9-11-19)20(13)17-12-14-6-3-4-8-16(14)18(17)2/h4-11,14-15,20-21H,12-13H2,1-3H3;3-4,6,8,12-13,15H,5,7,9-11H2,1-2H3
InChIKeyHTQDJILIKYNWPV-UHFFFAOYSA-N
XLogP8.05
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.86
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of 9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane (CID 162296717) is 9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane is CC1N(C)C2CCC(c3ccccc32)N1c1cc2ccccc2n1C.CC1N2CCCC(CC2)N1c1cc2ccccc2n1C.
What is the InChIKey of 9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane?
The InChIKey is HTQDJILIKYNWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3.C17H23N3/c1-15-23(2)20-12-13-21(18-10-6-5-9-17(18)20)25(15)22-14-16-8-4-7-11-19(16)24(22)3;1-13-19-10-5-7-15(9-11-19)20(13)17-12-14-6-3-4-8-16(14)18(17)2/h4-11,14-15,20-21H,12-13H2,1-3H3;3-4,6,8,12-13,15H,5,7,9-11H2,1-2H3.
What are the key properties of 9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane?
9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane has a molecular weight of 600.86 g/mol, XLogP of 8.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-11-(1-methylindol-2-yl)-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-triene;7-methyl-6-(1-methylindol-2-yl)-1,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 162296717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).