benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide

C14H23BrN2Si — CID 10663945

IUPACbenzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide
SMILESC[N+](CC#N)(Cc1ccccc1)C[Si](C)(C)C.[Br-]
InChIInChI=1S/C14H23N2Si.BrH/c1-16(11-10-15,13-17(2,3)4)12-14-8-6-5-7-9-14;/h5-9H,11-13H2,1-4H3;1H/q+1;/p-1
InChIKeyCXDKMLIETBNKLH-UHFFFAOYSA-M
MW327.34 g/mol
LogP0.04
Rot. Bonds5

About benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide

benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide (PubChem CID 10663945) has the molecular formula C14H23BrN2Si and a molecular weight of 327.34 g/mol. Its IUPAC name is benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide.

Molecular Properties

Compound Namebenzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide
PubChem CID10663945
Molecular FormulaC14H23BrN2Si
Molecular Weight327.34 g/mol
Exact Mass326.08
IUPAC Namebenzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide
SMILESC[N+](CC#N)(Cc1ccccc1)C[Si](C)(C)C.[Br-]
InChIInChI=1S/C14H23N2Si.BrH/c1-16(11-10-15,13-17(2,3)4)12-14-8-6-5-7-9-14;/h5-9H,11-13H2,1-4H3;1H/q+1;/p-1
InChIKeyCXDKMLIETBNKLH-UHFFFAOYSA-M
XLogP0.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide 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 benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide?
The IUPAC name of benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide (CID 10663945) is benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide.
What is the SMILES notation for benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide?
The canonical SMILES for benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide is C[N+](CC#N)(Cc1ccccc1)C[Si](C)(C)C.[Br-].
What is the InChIKey of benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide?
The InChIKey is CXDKMLIETBNKLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23N2Si.BrH/c1-16(11-10-15,13-17(2,3)4)12-14-8-6-5-7-9-14;/h5-9H,11-13H2,1-4H3;1H/q+1;/p-1.
What are the key properties of benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide?
benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide has a molecular weight of 327.34 g/mol, XLogP of 0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(cyanomethyl)-methyl-(trimethylsilylmethyl)azanium bromide is sourced from PubChem (CID 10663945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).