3-(1-amino-2-trimethylsilylethyl)benzonitrile

C12H18N2Si — CID 67325885

IUPAC3-(1-amino-2-trimethylsilylethyl)benzonitrile
SMILESC[Si](C)(C)CC(N)c1cccc(C#N)c1
InChIInChI=1S/C12H18N2Si/c1-15(2,3)9-12(14)11-6-4-5-10(7-11)8-13/h4-7,12H,9,14H2,1-3H3
InChIKeyHOFHLDNKVFAHSR-UHFFFAOYSA-N
MW218.38 g/mol
LogP2.90
Rot. Bonds3

About 3-(1-amino-2-trimethylsilylethyl)benzonitrile

3-(1-amino-2-trimethylsilylethyl)benzonitrile (PubChem CID 67325885) has the molecular formula C12H18N2Si and a molecular weight of 218.38 g/mol. Its IUPAC name is 3-(1-amino-2-trimethylsilylethyl)benzonitrile.

Molecular Properties

Compound Name3-(1-amino-2-trimethylsilylethyl)benzonitrile
PubChem CID67325885
Molecular FormulaC12H18N2Si
Molecular Weight218.38 g/mol
Exact Mass218.12
IUPAC Name3-(1-amino-2-trimethylsilylethyl)benzonitrile
SMILESC[Si](C)(C)CC(N)c1cccc(C#N)c1
InChIInChI=1S/C12H18N2Si/c1-15(2,3)9-12(14)11-6-4-5-10(7-11)8-13/h4-7,12H,9,14H2,1-3H3
InChIKeyHOFHLDNKVFAHSR-UHFFFAOYSA-N
XLogP2.90
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(1-amino-2-trimethylsilylethyl)benzonitrile
CID 67325387
3-[(1S)-1-amino-3-methylbutyl]benzonitrile
CID 130884549
3-[(1R)-1-amino-2-hydroxyethyl]benzonitrile
CID 66513688
3-[(1R)-1-amino-3-methylbut-3-enyl]benzonitrile
CID 130942039
3-[(1R)-1-amino-2-phenylethyl]benzonitrile
CID 118518493
3-[(1S)-1-aminobut-3-enyl]benzonitrile
CID 55292155
3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride
CID 171201432
methyl 3-amino-3-(3-cyanophenyl)propanoate
CID 163277397
3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile;hydrochloride
CID 91662955
3-[(1S)-1-amino-2-hydroxypropyl]benzonitrile
CID 131098129
3-[(1S,2R)-1-amino-2-hydroxypropyl]benzonitrile;hydrochloride
CID 171267137
3-(1-hydrazinylethyl)benzonitrile
CID 63990931

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-trimethylsilylethyl)benzonitrile?
The IUPAC name of 3-(1-amino-2-trimethylsilylethyl)benzonitrile (CID 67325885) is 3-(1-amino-2-trimethylsilylethyl)benzonitrile.
What is the SMILES notation for 3-(1-amino-2-trimethylsilylethyl)benzonitrile?
The canonical SMILES for 3-(1-amino-2-trimethylsilylethyl)benzonitrile is C[Si](C)(C)CC(N)c1cccc(C#N)c1.
What is the InChIKey of 3-(1-amino-2-trimethylsilylethyl)benzonitrile?
The InChIKey is HOFHLDNKVFAHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2Si/c1-15(2,3)9-12(14)11-6-4-5-10(7-11)8-13/h4-7,12H,9,14H2,1-3H3.
What are the key properties of 3-(1-amino-2-trimethylsilylethyl)benzonitrile?
3-(1-amino-2-trimethylsilylethyl)benzonitrile has a molecular weight of 218.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-trimethylsilylethyl)benzonitrile is sourced from PubChem (CID 67325885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).