1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

C14H24BrNSi2 — CID 153310972

IUPAC1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESC[Si]1(C)CC[Si](C)(C)N1CCc1ccc(Br)cc1
InChIInChI=1S/C14H24BrNSi2/c1-17(2)11-12-18(3,4)16(17)10-9-13-5-7-14(15)8-6-13/h5-8H,9-12H2,1-4H3
InChIKeyAMBRQURZRVRIDE-UHFFFAOYSA-N
MW342.43 g/mol
LogP4.72
Rot. Bonds3

About 1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (PubChem CID 153310972) has the molecular formula C14H24BrNSi2 and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
PubChem CID153310972
Molecular FormulaC14H24BrNSi2
Molecular Weight342.43 g/mol
Exact Mass341.06
IUPAC Name1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESC[Si]1(C)CC[Si](C)(C)N1CCc1ccc(Br)cc1
InChIInChI=1S/C14H24BrNSi2/c1-17(2)11-12-18(3,4)16(17)10-9-13-5-7-14(15)8-6-13/h5-8H,9-12H2,1-4H3
InChIKeyAMBRQURZRVRIDE-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 54.72
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 1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (CID 153310972) is 1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is C[Si]1(C)CC[Si](C)(C)N1CCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The InChIKey is AMBRQURZRVRIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNSi2/c1-17(2)11-12-18(3,4)16(17)10-9-13-5-7-14(15)8-6-13/h5-8H,9-12H2,1-4H3.
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine has a molecular weight of 342.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is sourced from PubChem (CID 153310972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).