2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile

C13H20N2OSi — CID 134927534

IUPAC2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESCN(C)C(C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H20N2OSi/c1-15(2)13(11-14,16-17(3,4)5)12-9-7-6-8-10-12/h6-10H,1-5H3
InChIKeyHKSPWWPQCZUZFR-UHFFFAOYSA-N
MW248.40 g/mol
LogP2.78
Rot. Bonds4

About 2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile

2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile (PubChem CID 134927534) has the molecular formula C13H20N2OSi and a molecular weight of 248.40 g/mol. Its IUPAC name is 2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile
PubChem CID134927534
Molecular FormulaC13H20N2OSi
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Name2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile
SMILESCN(C)C(C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H20N2OSi/c1-15(2)13(11-14,16-17(3,4)5)12-9-7-6-8-10-12/h6-10H,1-5H3
InChIKeyHKSPWWPQCZUZFR-UHFFFAOYSA-N
XLogP2.78
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.78
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
[1-(4-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134996816
[1-(2-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134999093
2-(Dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile
CID 134926295
2-(2-Chlorophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
CID 134926556
2-(4-Chlorophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
CID 134926652
2-(Dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile
CID 134994048
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-(2-methylphenyl)ethoxy]-trimethylsilane
CID 134997060
(1-Isocyano-1-phenylethoxy)-trimethylsilane
CID 134997174

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile (CID 134927534) is 2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile is CN(C)C(C#N)(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile?
The InChIKey is HKSPWWPQCZUZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OSi/c1-15(2)13(11-14,16-17(3,4)5)12-9-7-6-8-10-12/h6-10H,1-5H3.
What are the key properties of 2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile?
2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile has a molecular weight of 248.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 134927534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).