4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile

C12H24N2Si — CID 66607130

IUPAC4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile
SMILESCCN(C1CCC(C#N)CC1)[Si](C)(C)C
InChIInChI=1S/C12H24N2Si/c1-5-14(15(2,3)4)12-8-6-11(10-13)7-9-12/h11-12H,5-9H2,1-4H3
InChIKeyNYVSUCXSEHVECD-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.23
Rot. Bonds3

About 4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile

4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile (PubChem CID 66607130) has the molecular formula C12H24N2Si and a molecular weight of 224.42 g/mol. Its IUPAC name is 4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile
PubChem CID66607130
Molecular FormulaC12H24N2Si
Molecular Weight224.42 g/mol
Exact Mass224.17
IUPAC Name4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile
SMILESCCN(C1CCC(C#N)CC1)[Si](C)(C)C
InChIInChI=1S/C12H24N2Si/c1-5-14(15(2,3)4)12-8-6-11(10-13)7-9-12/h11-12H,5-9H2,1-4H3
InChIKeyNYVSUCXSEHVECD-UHFFFAOYSA-N
XLogP3.23
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile (CID 66607130) is 4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile is CCN(C1CCC(C#N)CC1)[Si](C)(C)C.
What is the InChIKey of 4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is NYVSUCXSEHVECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2Si/c1-5-14(15(2,3)4)12-8-6-11(10-13)7-9-12/h11-12H,5-9H2,1-4H3.
What are the key properties of 4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile?
4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 224.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 66607130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).