3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile

C9H17N3Si — CID 141318253

IUPAC3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile
SMILESC[Si](C)(C)C(C#N)CNCCC#N
InChIInChI=1S/C9H17N3Si/c1-13(2,3)9(7-11)8-12-6-4-5-10/h9,12H,4,6,8H2,1-3H3
InChIKeyLWZNGFSGOXDLLI-UHFFFAOYSA-N
MW195.34 g/mol
LogP1.72
Rot. Bonds5

About 3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile

3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile (PubChem CID 141318253) has the molecular formula C9H17N3Si and a molecular weight of 195.34 g/mol. Its IUPAC name is 3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile.

Molecular Properties

Compound Name3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile
PubChem CID141318253
Molecular FormulaC9H17N3Si
Molecular Weight195.34 g/mol
Exact Mass195.12
IUPAC Name3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile
SMILESC[Si](C)(C)C(C#N)CNCCC#N
InChIInChI=1S/C9H17N3Si/c1-13(2,3)9(7-11)8-12-6-4-5-10/h9,12H,4,6,8H2,1-3H3
InChIKeyLWZNGFSGOXDLLI-UHFFFAOYSA-N
XLogP1.72
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-cyanoethylamino)propanenitrile
CID 160846337
3-[(3-amino-2-methylpropyl)amino]propanenitrile
CID 130604402
3-[(2-cyclopropyl-2-hydroxyethyl)amino]propanenitrile
CID 63296355
4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile
CID 102905397
2-(2-cyanoethylamino)propanenitrile
CID 154209614
4-(cyanomethylamino)butanenitrile
CID 91395805
3-[[3-amino-3-(dimethylamino)propyl]amino]propanenitrile
CID 88621674
3-[[(E)-non-7-enyl]amino]propanenitrile
CID 101282852
3-(3-methylbutan-2-ylamino)propanenitrile
CID 43183200
3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile
CID 62639936
3-[[3-hydroxy-4-[2-(methylideneamino)ethylamino]butyl]amino]propanenitrile
CID 54354851
3-[(2-hydroxy-2,4-dimethylpentyl)amino]propanenitrile
CID 66174666

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile?
The IUPAC name of 3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile (CID 141318253) is 3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile.
What is the SMILES notation for 3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile?
The canonical SMILES for 3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile is C[Si](C)(C)C(C#N)CNCCC#N.
What is the InChIKey of 3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile?
The InChIKey is LWZNGFSGOXDLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3Si/c1-13(2,3)9(7-11)8-12-6-4-5-10/h9,12H,4,6,8H2,1-3H3.
What are the key properties of 3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile?
3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile has a molecular weight of 195.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanoethylamino)-2-trimethylsilylpropanenitrile is sourced from PubChem (CID 141318253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).