6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane

C21H23N3O — CID 162296779

IUPAC6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane
SMILESCc1cc2oc3ccccc3c2cc1C12CN3CN(CN(C3)C1C)C2
InChIInChI=1S/C21H23N3O/c1-14-7-20-17(16-5-3-4-6-19(16)25-20)8-18(14)21-9-22-11-23(10-21)13-24(12-22)15(21)2/h3-8,15H,9-13H2,1-2H3
InChIKeyJQRYGYQDLWGQKG-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.34
Rot. Bonds1

About 6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane

6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane (PubChem CID 162296779) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane
PubChem CID162296779
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane
SMILESCc1cc2oc3ccccc3c2cc1C12CN3CN(CN(C3)C1C)C2
InChIInChI=1S/C21H23N3O/c1-14-7-20-17(16-5-3-4-6-19(16)25-20)8-18(14)21-9-22-11-23(10-21)13-24(12-22)15(21)2/h3-8,15H,9-13H2,1-2H3
InChIKeyJQRYGYQDLWGQKG-UHFFFAOYSA-N
XLogP3.34
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane with MolForge

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Related Compounds

2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane
CID 162295435
1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 165097703
3,4-dimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 162296056
CID 164706114
CID 164706114
(3S)-2,3-dimethyl-4-(3-methyldibenzofuran-2-yl)-3,5-dihydro-1H-2,4-benzodiazepine
CID 137454756
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
(3S)-1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 137454517
4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane
CID 162296775
(10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454524
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
CID 129267055

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane?
The IUPAC name of 6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane (CID 162296779) is 6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane is Cc1cc2oc3ccccc3c2cc1C12CN3CN(CN(C3)C1C)C2.
What is the InChIKey of 6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane?
The InChIKey is JQRYGYQDLWGQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-7-20-17(16-5-3-4-6-19(16)25-20)8-18(14)21-9-22-11-23(10-21)13-24(12-22)15(21)2/h3-8,15H,9-13H2,1-2H3.
What are the key properties of 6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane?
6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane has a molecular weight of 333.44 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 162296779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).