N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine

C16H31NSSi — CID 140768335

IUPACN-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine
SMILESC[Si](C)(C)SC1CCCCC/C1=N\C1CCCCC1
InChIInChI=1S/C16H31NSSi/c1-19(2,3)18-16-13-9-5-8-12-15(16)17-14-10-6-4-7-11-14/h14,16H,4-13H2,1-3H3/b17-15+
InChIKeyFEJXLOYZIJZGGN-BMRADRMJSA-N
MW297.58 g/mol
LogP5.66
Rot. Bonds3

About N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine

N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine (PubChem CID 140768335) has the molecular formula C16H31NSSi and a molecular weight of 297.58 g/mol. Its IUPAC name is N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine
PubChem CID140768335
Molecular FormulaC16H31NSSi
Molecular Weight297.58 g/mol
Exact Mass297.19
IUPAC NameN-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine
SMILESC[Si](C)(C)SC1CCCCC/C1=N\C1CCCCC1
InChIInChI=1S/C16H31NSSi/c1-19(2,3)18-16-13-9-5-8-12-15(16)17-14-10-6-4-7-11-14/h14,16H,4-13H2,1-3H3/b17-15+
InChIKeyFEJXLOYZIJZGGN-BMRADRMJSA-N
XLogP5.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.58
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine?
The IUPAC name of N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine (CID 140768335) is N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine.
What is the SMILES notation for N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine?
The canonical SMILES for N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine is C[Si](C)(C)SC1CCCCC/C1=N\C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine?
The InChIKey is FEJXLOYZIJZGGN-BMRADRMJSA-N. The full InChI is InChI=1S/C16H31NSSi/c1-19(2,3)18-16-13-9-5-8-12-15(16)17-14-10-6-4-7-11-14/h14,16H,4-13H2,1-3H3/b17-15+.
What are the key properties of N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine?
N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine has a molecular weight of 297.58 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-trimethylsilylsulfanylcycloheptan-1-imine is sourced from PubChem (CID 140768335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).