3-[bis(trimethylsilyl)amino]benzonitrile

C13H22N2Si2 — CID 66602819

IUPAC3-[bis(trimethylsilyl)amino]benzonitrile
SMILESC[Si](C)(C)N(c1cccc(C#N)c1)[Si](C)(C)C
InChIInChI=1S/C13H22N2Si2/c1-16(2,3)15(17(4,5)6)13-9-7-8-12(10-13)11-14/h7-10H,1-6H3
InChIKeyZZXZAZCRZPFRHN-UHFFFAOYSA-N
MW262.50 g/mol
LogP4.03
Rot. Bonds3

About 3-[bis(trimethylsilyl)amino]benzonitrile

3-[bis(trimethylsilyl)amino]benzonitrile (PubChem CID 66602819) has the molecular formula C13H22N2Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is 3-[bis(trimethylsilyl)amino]benzonitrile.

Molecular Properties

Compound Name3-[bis(trimethylsilyl)amino]benzonitrile
PubChem CID66602819
Molecular FormulaC13H22N2Si2
Molecular Weight262.50 g/mol
Exact Mass262.13
IUPAC Name3-[bis(trimethylsilyl)amino]benzonitrile
SMILESC[Si](C)(C)N(c1cccc(C#N)c1)[Si](C)(C)C
InChIInChI=1S/C13H22N2Si2/c1-16(2,3)15(17(4,5)6)13-9-7-8-12(10-13)11-14/h7-10H,1-6H3
InChIKeyZZXZAZCRZPFRHN-UHFFFAOYSA-N
XLogP4.03
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[bis(trimethylsilyl)amino]benzonitrile?
The IUPAC name of 3-[bis(trimethylsilyl)amino]benzonitrile (CID 66602819) is 3-[bis(trimethylsilyl)amino]benzonitrile.
What is the SMILES notation for 3-[bis(trimethylsilyl)amino]benzonitrile?
The canonical SMILES for 3-[bis(trimethylsilyl)amino]benzonitrile is C[Si](C)(C)N(c1cccc(C#N)c1)[Si](C)(C)C.
What is the InChIKey of 3-[bis(trimethylsilyl)amino]benzonitrile?
The InChIKey is ZZXZAZCRZPFRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2Si2/c1-16(2,3)15(17(4,5)6)13-9-7-8-12(10-13)11-14/h7-10H,1-6H3.
What are the key properties of 3-[bis(trimethylsilyl)amino]benzonitrile?
3-[bis(trimethylsilyl)amino]benzonitrile has a molecular weight of 262.50 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(trimethylsilyl)amino]benzonitrile is sourced from PubChem (CID 66602819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).