2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile

C14H22N2OSi — CID 134994048

IUPAC2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCc1ccc(C(C#N)(O[Si](C)(C)C)N(C)C)cc1
InChIInChI=1S/C14H22N2OSi/c1-12-7-9-13(10-8-12)14(11-15,16(2)3)17-18(4,5)6/h7-10H,1-6H3
InChIKeyAQGALMDHSWBUBJ-UHFFFAOYSA-N
MW262.43 g/mol
LogP3.08
Rot. Bonds4

About 2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile

2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 134994048) has the molecular formula C14H22N2OSi and a molecular weight of 262.43 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID134994048
Molecular FormulaC14H22N2OSi
Molecular Weight262.43 g/mol
Exact Mass262.15
IUPAC Name2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile
SMILESCc1ccc(C(C#N)(O[Si](C)(C)C)N(C)C)cc1
InChIInChI=1S/C14H22N2OSi/c1-12-7-9-13(10-8-12)14(11-15,16(2)3)17-18(4,5)6/h7-10H,1-6H3
InChIKeyAQGALMDHSWBUBJ-UHFFFAOYSA-N
XLogP3.08
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N,N-dimethyl-1-phenyl-1-trimethylsilyloxyethanamine
CID 11208552
Lithium 2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile
CID 134884409
2-(Dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile
CID 134926295
2-(Dimethylamino)-2-naphthalen-2-yl-2-trimethylsilyloxyacetonitrile
CID 134926296
2-(4-Acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
CID 134926432
2-(2-Chlorophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
CID 134926556
2-(4-Chlorophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
CID 134926652
2-(Dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 134927534
2-(4-Bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
CID 134994574
(1-Isocyano-1-phenylpropoxy)-trimethylsilane
CID 134996939
(1-Isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane
CID 134996943
(1-Isocyano-1-phenylethoxy)-trimethylsilane
CID 134997174

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile (CID 134994048) is 2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile is Cc1ccc(C(C#N)(O[Si](C)(C)C)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is AQGALMDHSWBUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OSi/c1-12-7-9-13(10-8-12)14(11-15,16(2)3)17-18(4,5)6/h7-10H,1-6H3.
What are the key properties of 2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile?
2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 262.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 134994048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).