2-[benzyl(trimethylsilylmethyl)amino]acetonitrile

C13H20N2Si — CID 560960

IUPAC2-[benzyl(trimethylsilylmethyl)amino]acetonitrile
SMILESC[Si](C)(C)CN(CC#N)Cc1ccccc1
InChIInChI=1S/C13H20N2Si/c1-16(2,3)12-15(10-9-14)11-13-7-5-4-6-8-13/h4-8H,10-12H2,1-3H3
InChIKeyMIAHSUODJNPFGX-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.89
Rot. Bonds5

About 2-[benzyl(trimethylsilylmethyl)amino]acetonitrile

2-[benzyl(trimethylsilylmethyl)amino]acetonitrile (PubChem CID 560960) has the molecular formula C13H20N2Si and a molecular weight of 232.40 g/mol. Its IUPAC name is 2-[benzyl(trimethylsilylmethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[benzyl(trimethylsilylmethyl)amino]acetonitrile
PubChem CID560960
Molecular FormulaC13H20N2Si
Molecular Weight232.40 g/mol
Exact Mass232.14
IUPAC Name2-[benzyl(trimethylsilylmethyl)amino]acetonitrile
SMILESC[Si](C)(C)CN(CC#N)Cc1ccccc1
InChIInChI=1S/C13H20N2Si/c1-16(2,3)12-15(10-9-14)11-13-7-5-4-6-8-13/h4-8H,10-12H2,1-3H3
InChIKeyMIAHSUODJNPFGX-UHFFFAOYSA-N
XLogP2.89
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
2-[benzyl-[(Z)-but-2-enyl]amino]acetonitrile
CID 15383614
benzyl(cyano)cyanamide
CID 151460477
(2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine
CID 155775630
1-phenyl-N,N-bis(trimethylsilyl)methanamine
CID 616728
ethyl 2-[benzyl(cyanomethyl)amino]acetate
CID 78977806
2-[2-phenylethyl(propyl)amino]acetonitrile
CID 55206924
2-[ethyl(2-phenylethyl)amino]acetonitrile
CID 60970456
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-5-trimethylsilyl-N-(5-trimethylsilylpenta-2,4-diynyl)penta-2,4-diyn-1-amine
CID 59398634
1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile
CID 71444781

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(trimethylsilylmethyl)amino]acetonitrile?
The IUPAC name of 2-[benzyl(trimethylsilylmethyl)amino]acetonitrile (CID 560960) is 2-[benzyl(trimethylsilylmethyl)amino]acetonitrile.
What is the SMILES notation for 2-[benzyl(trimethylsilylmethyl)amino]acetonitrile?
The canonical SMILES for 2-[benzyl(trimethylsilylmethyl)amino]acetonitrile is C[Si](C)(C)CN(CC#N)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(trimethylsilylmethyl)amino]acetonitrile?
The InChIKey is MIAHSUODJNPFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2Si/c1-16(2,3)12-15(10-9-14)11-13-7-5-4-6-8-13/h4-8H,10-12H2,1-3H3.
What are the key properties of 2-[benzyl(trimethylsilylmethyl)amino]acetonitrile?
2-[benzyl(trimethylsilylmethyl)amino]acetonitrile has a molecular weight of 232.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(trimethylsilylmethyl)amino]acetonitrile is sourced from PubChem (CID 560960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).