4-(1-amino-2-trimethylsilylethyl)benzonitrile

C12H18N2Si — CID 67325387

IUPAC4-(1-amino-2-trimethylsilylethyl)benzonitrile
SMILESC[Si](C)(C)CC(N)c1ccc(C#N)cc1
InChIInChI=1S/C12H18N2Si/c1-15(2,3)9-12(14)11-6-4-10(8-13)5-7-11/h4-7,12H,9,14H2,1-3H3
InChIKeyPEPXULHCSSGNIB-UHFFFAOYSA-N
MW218.38 g/mol
LogP2.90
Rot. Bonds3

About 4-(1-amino-2-trimethylsilylethyl)benzonitrile

4-(1-amino-2-trimethylsilylethyl)benzonitrile (PubChem CID 67325387) has the molecular formula C12H18N2Si and a molecular weight of 218.38 g/mol. Its IUPAC name is 4-(1-amino-2-trimethylsilylethyl)benzonitrile.

Molecular Properties

Compound Name4-(1-amino-2-trimethylsilylethyl)benzonitrile
PubChem CID67325387
Molecular FormulaC12H18N2Si
Molecular Weight218.38 g/mol
Exact Mass218.12
IUPAC Name4-(1-amino-2-trimethylsilylethyl)benzonitrile
SMILESC[Si](C)(C)CC(N)c1ccc(C#N)cc1
InChIInChI=1S/C12H18N2Si/c1-15(2,3)9-12(14)11-6-4-10(8-13)5-7-11/h4-7,12H,9,14H2,1-3H3
InChIKeyPEPXULHCSSGNIB-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

3-(1-amino-2-trimethylsilylethyl)benzonitrile
CID 67325885
4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile
CID 131626102
4-[(1S)-1-amino-3-methylbut-3-enyl]benzonitrile
CID 130817356
4-(1-aminoethyl)benzonitrile
CID 11544790
4-[(1S)-1-amino-3-fluoropropyl]benzonitrile;hydrochloride
CID 171217694
4-(1-amino-3,3,3-trifluoropropyl)benzonitrile
CID 122174182
4-[(1S)-1-amino-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171217708
4-[(1S)-1-amino-3,3,3-trifluoropropyl]benzonitrile
CID 124518543
4-[(1S)-1,4-diaminobutyl]benzonitrile;hydrochloride
CID 171217680
methyl 3-amino-3-(4-cyanophenyl)propanoate
CID 2769464
4-[(2R)-1-aminopropan-2-yl]benzonitrile
CID 139426388
4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile
CID 70671232

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-trimethylsilylethyl)benzonitrile?
The IUPAC name of 4-(1-amino-2-trimethylsilylethyl)benzonitrile (CID 67325387) is 4-(1-amino-2-trimethylsilylethyl)benzonitrile.
What is the SMILES notation for 4-(1-amino-2-trimethylsilylethyl)benzonitrile?
The canonical SMILES for 4-(1-amino-2-trimethylsilylethyl)benzonitrile is C[Si](C)(C)CC(N)c1ccc(C#N)cc1.
What is the InChIKey of 4-(1-amino-2-trimethylsilylethyl)benzonitrile?
The InChIKey is PEPXULHCSSGNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2Si/c1-15(2,3)9-12(14)11-6-4-10(8-13)5-7-11/h4-7,12H,9,14H2,1-3H3.
What are the key properties of 4-(1-amino-2-trimethylsilylethyl)benzonitrile?
4-(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 4-(1-amino-2-trimethylsilylethyl)benzonitrile is sourced from PubChem (CID 67325387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).