1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile

C17H26N2Si — CID 71444781

IUPAC1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile
SMILESC[Si](C)(C)N(Cc1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C17H26N2Si/c1-20(2,3)19(14-16-10-6-4-7-11-16)17(15-18)12-8-5-9-13-17/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3
InChIKeyVGSVQEAWVQCGIV-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.55
Rot. Bonds4

About 1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile

1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile (PubChem CID 71444781) has the molecular formula C17H26N2Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile
PubChem CID71444781
Molecular FormulaC17H26N2Si
Molecular Weight286.49 g/mol
Exact Mass286.19
IUPAC Name1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile
SMILESC[Si](C)(C)N(Cc1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C17H26N2Si/c1-20(2,3)19(14-16-10-6-4-7-11-16)17(15-18)12-8-5-9-13-17/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3
InChIKeyVGSVQEAWVQCGIV-UHFFFAOYSA-N
XLogP4.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.55
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 1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile (CID 71444781) is 1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile is C[Si](C)(C)N(Cc1ccccc1)C1(C#N)CCCCC1.
What is the InChIKey of 1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is VGSVQEAWVQCGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2Si/c1-20(2,3)19(14-16-10-6-4-7-11-16)17(15-18)12-8-5-9-13-17/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3.
What are the key properties of 1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile?
1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 286.49 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71444781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).