N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine

C22H47NSi7 — CID 102599168

IUPACN-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine
SMILESCc1cccc(C)c1N=C1[Si]2([Si](C)(C)C)C[Si]1([Si](C)(C)C)[Si]2([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H47NSi7/c1-19-16-15-17-20(2)21(19)23-22-28(24(3,4)5)18-29(22,25(6,7)8)30(28,26(9,10)11)27(12,13)14/h15-17H,18H2,1-14H3
InChIKeyCAPIENITGYSQSF-UHFFFAOYSA-N
MW522.23 g/mol
LogP7.19
Rot. Bonds5

About N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine

N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine (PubChem CID 102599168) has the molecular formula C22H47NSi7 and a molecular weight of 522.23 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine
PubChem CID102599168
Molecular FormulaC22H47NSi7
Molecular Weight522.23 g/mol
Exact Mass521.21
IUPAC NameN-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine
SMILESCc1cccc(C)c1N=C1[Si]2([Si](C)(C)C)C[Si]1([Si](C)(C)C)[Si]2([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H47NSi7/c1-19-16-15-17-20(2)21(19)23-22-28(24(3,4)5)18-29(22,25(6,7)8)30(28,26(9,10)11)27(12,13)14/h15-17H,18H2,1-14H3
InChIKeyCAPIENITGYSQSF-UHFFFAOYSA-N
XLogP7.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.23
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine 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 N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine?
The IUPAC name of N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine (CID 102599168) is N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine is Cc1cccc(C)c1N=C1[Si]2([Si](C)(C)C)C[Si]1([Si](C)(C)C)[Si]2([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine?
The InChIKey is CAPIENITGYSQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NSi7/c1-19-16-15-17-20(2)21(19)23-22-28(24(3,4)5)18-29(22,25(6,7)8)30(28,26(9,10)11)27(12,13)14/h15-17H,18H2,1-14H3.
What are the key properties of N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine?
N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine has a molecular weight of 522.23 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine is sourced from PubChem (CID 102599168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).