5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline

C16H19NSi — CID 12524650

IUPAC5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESCCN1c2ccccc2[Si](C)(C)c2ccccc21
InChIInChI=1S/C16H19NSi/c1-4-17-13-9-5-7-11-15(13)18(2,3)16-12-8-6-10-14(16)17/h5-12H,4H2,1-3H3
InChIKeyXKKGRJMEGMUUFI-UHFFFAOYSA-N
MW253.42 g/mol
LogP2.98
Rot. Bonds1

About 5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline

5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 12524650) has the molecular formula C16H19NSi and a molecular weight of 253.42 g/mol. Its IUPAC name is 5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline
PubChem CID12524650
Molecular FormulaC16H19NSi
Molecular Weight253.42 g/mol
Exact Mass253.13
IUPAC Name5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESCCN1c2ccccc2[Si](C)(C)c2ccccc21
InChIInChI=1S/C16H19NSi/c1-4-17-13-9-5-7-11-15(13)18(2,3)16-12-8-6-10-14(16)17/h5-12H,4H2,1-3H3
InChIKeyXKKGRJMEGMUUFI-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline?
The IUPAC name of 5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 12524650) is 5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline is CCN1c2ccccc2[Si](C)(C)c2ccccc21.
What is the InChIKey of 5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline?
The InChIKey is XKKGRJMEGMUUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NSi/c1-4-17-13-9-5-7-11-15(13)18(2,3)16-12-8-6-10-14(16)17/h5-12H,4H2,1-3H3.
What are the key properties of 5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline?
5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 253.42 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 12524650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).