3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane

C21H24N2O — CID 22057939

IUPAC3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane
SMILESCN1C2CCCC1CN(c1ccc3oc4ccccc4c3c1)CC2
InChIInChI=1S/C21H24N2O/c1-22-15-5-4-6-17(22)14-23(12-11-15)16-9-10-21-19(13-16)18-7-2-3-8-20(18)24-21/h2-3,7-10,13,15,17H,4-6,11-12,14H2,1H3
InChIKeyVLSXTTJZVXUJDU-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.65
Rot. Bonds1

About 3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane

3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane (PubChem CID 22057939) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane
PubChem CID22057939
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane
SMILESCN1C2CCCC1CN(c1ccc3oc4ccccc4c3c1)CC2
InChIInChI=1S/C21H24N2O/c1-22-15-5-4-6-17(22)14-23(12-11-15)16-9-10-21-19(13-16)18-7-2-3-8-20(18)24-21/h2-3,7-10,13,15,17H,4-6,11-12,14H2,1H3
InChIKeyVLSXTTJZVXUJDU-UHFFFAOYSA-N
XLogP4.65
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane?
The IUPAC name of 3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane (CID 22057939) is 3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane.
What is the SMILES notation for 3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane?
The canonical SMILES for 3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane is CN1C2CCCC1CN(c1ccc3oc4ccccc4c3c1)CC2.
What is the InChIKey of 3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane?
The InChIKey is VLSXTTJZVXUJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-22-15-5-4-6-17(22)14-23(12-11-15)16-9-10-21-19(13-16)18-7-2-3-8-20(18)24-21/h2-3,7-10,13,15,17H,4-6,11-12,14H2,1H3.
What are the key properties of 3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane?
3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane has a molecular weight of 320.44 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-10-methyl-3,10-diazabicyclo[4.3.1]decane is sourced from PubChem (CID 22057939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).