4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline

C24H23N3 — CID 92844224

IUPAC4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1
InChIInChI=1S/C24H23N3/c1-26(2)20-15-13-19(14-16-20)24-25-21(17-9-5-3-6-10-17)23-22(27(23)24)18-11-7-4-8-12-18/h3-16,22-24H,1-2H3/t22-,23-,24-,27?/m1/s1
InChIKeyRSXWXEAYFFVBFX-WOOZGKCQSA-N
MW353.47 g/mol
LogP4.68
Rot. Bonds4

About 4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline

4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline (PubChem CID 92844224) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline
PubChem CID92844224
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1
InChIInChI=1S/C24H23N3/c1-26(2)20-15-13-19(14-16-20)24-25-21(17-9-5-3-6-10-17)23-22(27(23)24)18-11-7-4-8-12-18/h3-16,22-24H,1-2H3/t22-,23-,24-,27?/m1/s1
InChIKeyRSXWXEAYFFVBFX-WOOZGKCQSA-N
XLogP4.68
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline 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 4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline (CID 92844224) is 4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline is CN(C)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1.
What is the InChIKey of 4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline?
The InChIKey is RSXWXEAYFFVBFX-WOOZGKCQSA-N. The full InChI is InChI=1S/C24H23N3/c1-26(2)20-15-13-19(14-16-20)24-25-21(17-9-5-3-6-10-17)23-22(27(23)24)18-11-7-4-8-12-18/h3-16,22-24H,1-2H3/t22-,23-,24-,27?/m1/s1.
What are the key properties of 4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline?
4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline has a molecular weight of 353.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,5S,6R)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 92844224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).