4-[bis(trimethylsilyl)amino]benzonitrile

C13H22N2Si2 — CID 66606543

IUPAC4-[bis(trimethylsilyl)amino]benzonitrile
SMILESC[Si](C)(C)N(c1ccc(C#N)cc1)[Si](C)(C)C
InChIInChI=1S/C13H22N2Si2/c1-16(2,3)15(17(4,5)6)13-9-7-12(11-14)8-10-13/h7-10H,1-6H3
InChIKeyMGPYOCFNZAMTMZ-UHFFFAOYSA-N
MW262.50 g/mol
LogP4.03
Rot. Bonds3

About 4-[bis(trimethylsilyl)amino]benzonitrile

4-[bis(trimethylsilyl)amino]benzonitrile (PubChem CID 66606543) has the molecular formula C13H22N2Si2 and a molecular weight of 262.50 g/mol. Its IUPAC name is 4-[bis(trimethylsilyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[bis(trimethylsilyl)amino]benzonitrile
PubChem CID66606543
Molecular FormulaC13H22N2Si2
Molecular Weight262.50 g/mol
Exact Mass262.13
IUPAC Name4-[bis(trimethylsilyl)amino]benzonitrile
SMILESC[Si](C)(C)N(c1ccc(C#N)cc1)[Si](C)(C)C
InChIInChI=1S/C13H22N2Si2/c1-16(2,3)15(17(4,5)6)13-9-7-12(11-14)8-10-13/h7-10H,1-6H3
InChIKeyMGPYOCFNZAMTMZ-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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Related Compounds

3-[bis(trimethylsilyl)amino]benzonitrile
CID 66602819
5-[bis(trimethylsilyl)amino]pyridine-2-carbonitrile
CID 66606827
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(4-cyano-N-ethylanilino)benzonitrile
CID 102137566
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile
CID 122213213
4-(N-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-4-cyanoanilino)benzonitrile
CID 102267120
N-(4-cyanophenyl)methanesulfonohydrazide
CID 163198401
4-[methyl(1,1,2,2,2-pentafluoroethyl)amino]benzonitrile
CID 118086708
3-chloro-4-(4-cyano-N-methylanilino)benzonitrile
CID 63094109
4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
4-[(5-fluoropyrimidin-2-yl)-methylamino]benzonitrile
CID 104606073

Frequently Asked Questions

What is the IUPAC name of 4-[bis(trimethylsilyl)amino]benzonitrile?
The IUPAC name of 4-[bis(trimethylsilyl)amino]benzonitrile (CID 66606543) is 4-[bis(trimethylsilyl)amino]benzonitrile.
What is the SMILES notation for 4-[bis(trimethylsilyl)amino]benzonitrile?
The canonical SMILES for 4-[bis(trimethylsilyl)amino]benzonitrile is C[Si](C)(C)N(c1ccc(C#N)cc1)[Si](C)(C)C.
What is the InChIKey of 4-[bis(trimethylsilyl)amino]benzonitrile?
The InChIKey is MGPYOCFNZAMTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2Si2/c1-16(2,3)15(17(4,5)6)13-9-7-12(11-14)8-10-13/h7-10H,1-6H3.
What are the key properties of 4-[bis(trimethylsilyl)amino]benzonitrile?
4-[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 4-[bis(trimethylsilyl)amino]benzonitrile is sourced from PubChem (CID 66606543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).