10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene

C21H26N2 — CID 162296643

IUPAC10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
SMILESCc1cc(C)c(C)c(N2C3CCN(Cc4ccccc43)C2C)c1
InChIInChI=1S/C21H26N2/c1-14-11-15(2)16(3)21(12-14)23-17(4)22-10-9-20(23)19-8-6-5-7-18(19)13-22/h5-8,11-12,17,20H,9-10,13H2,1-4H3
InChIKeySXGFNSJBMUMERF-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.72
Rot. Bonds1

About 10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene

10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene (PubChem CID 162296643) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
PubChem CID162296643
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
SMILESCc1cc(C)c(C)c(N2C3CCN(Cc4ccccc43)C2C)c1
InChIInChI=1S/C21H26N2/c1-14-11-15(2)16(3)21(12-14)23-17(4)22-10-9-20(23)19-8-6-5-7-18(19)13-22/h5-8,11-12,17,20H,9-10,13H2,1-4H3
InChIKeySXGFNSJBMUMERF-UHFFFAOYSA-N
XLogP4.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(10S)-10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454386
(10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454524
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine
CID 140718493
2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 135003203
1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole
CID 175719174
3-(3,4-dihydro-1H-isoquinolin-2-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-ol
CID 82186782
(2R)-2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane
CID 137454503
3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole
CID 11435240
(1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol
CID 101469707
(1S)-2-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-isoquinoline
CID 175310429
2,5-dimethyl-1,3,4,5-tetrahydro-2-benzazepine
CID 58975935
bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
CID 158011653

Frequently Asked Questions

What is the IUPAC name of 10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The IUPAC name of 10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene (CID 162296643) is 10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene.
What is the SMILES notation for 10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The canonical SMILES for 10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene is Cc1cc(C)c(C)c(N2C3CCN(Cc4ccccc43)C2C)c1.
What is the InChIKey of 10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The InChIKey is SXGFNSJBMUMERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-14-11-15(2)16(3)21(12-14)23-17(4)22-10-9-20(23)19-8-6-5-7-18(19)13-22/h5-8,11-12,17,20H,9-10,13H2,1-4H3.
What are the key properties of 10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene has a molecular weight of 306.45 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 162296643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).