N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine

C14H27NSSi — CID 140768111

IUPACN-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine
SMILESC[Si](C)(C)SC1CCCC/C1=N\C1CCCC1
InChIInChI=1S/C14H27NSSi/c1-17(2,3)16-14-11-7-6-10-13(14)15-12-8-4-5-9-12/h12,14H,4-11H2,1-3H3/b15-13+
InChIKeyKCRVFIIEJWKEPV-FYWRMAATSA-N
MW269.53 g/mol
LogP4.88
Rot. Bonds3

About N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine

N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine (PubChem CID 140768111) has the molecular formula C14H27NSSi and a molecular weight of 269.53 g/mol. Its IUPAC name is N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine.

Molecular Properties

Compound NameN-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine
PubChem CID140768111
Molecular FormulaC14H27NSSi
Molecular Weight269.53 g/mol
Exact Mass269.16
IUPAC NameN-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine
SMILESC[Si](C)(C)SC1CCCC/C1=N\C1CCCC1
InChIInChI=1S/C14H27NSSi/c1-17(2,3)16-14-11-7-6-10-13(14)15-12-8-4-5-9-12/h12,14H,4-11H2,1-3H3/b15-13+
InChIKeyKCRVFIIEJWKEPV-FYWRMAATSA-N
XLogP4.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.53
LogP ≤ 54.88
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-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine?
The IUPAC name of N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine (CID 140768111) is N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine.
What is the SMILES notation for N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine?
The canonical SMILES for N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine is C[Si](C)(C)SC1CCCC/C1=N\C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine?
The InChIKey is KCRVFIIEJWKEPV-FYWRMAATSA-N. The full InChI is InChI=1S/C14H27NSSi/c1-17(2,3)16-14-11-7-6-10-13(14)15-12-8-4-5-9-12/h12,14H,4-11H2,1-3H3/b15-13+.
What are the key properties of N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine?
N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine has a molecular weight of 269.53 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-trimethylsilylsulfanylcyclohexan-1-imine is sourced from PubChem (CID 140768111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).