2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile

C17H22N2OSi — CID 134926295

IUPAC2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile
SMILESCN(C)C(C#N)(O[Si](C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H22N2OSi/c1-19(2)17(13-18,20-21(3,4)5)16-12-8-10-14-9-6-7-11-15(14)16/h6-12H,1-5H3
InChIKeyKLXXWINRJOOMSI-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.93
Rot. Bonds4

About 2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile

2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile (PubChem CID 134926295) has the molecular formula C17H22N2OSi and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile
PubChem CID134926295
Molecular FormulaC17H22N2OSi
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC Name2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile
SMILESCN(C)C(C#N)(O[Si](C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H22N2OSi/c1-19(2)17(13-18,20-21(3,4)5)16-12-8-10-14-9-6-7-11-15(14)16/h6-12H,1-5H3
InChIKeyKLXXWINRJOOMSI-UHFFFAOYSA-N
XLogP3.93
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.93
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile (CID 134926295) is 2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile is CN(C)C(C#N)(O[Si](C)(C)C)c1cccc2ccccc12.
What is the InChIKey of 2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile?
The InChIKey is KLXXWINRJOOMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OSi/c1-19(2)17(13-18,20-21(3,4)5)16-12-8-10-14-9-6-7-11-15(14)16/h6-12H,1-5H3.
What are the key properties of 2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile?
2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile has a molecular weight of 298.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-naphthalen-1-yl-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 134926295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).