N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine

C12H23NSSi — CID 140768209

IUPACN-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine
SMILESC[Si](C)(C)SC1CCC(=NC2CC2)CC1
InChIInChI=1S/C12H23NSSi/c1-15(2,3)14-12-8-6-11(7-9-12)13-10-4-5-10/h10,12H,4-9H2,1-3H3/b13-11-
InChIKeyIZWNLJALCDABBV-QBFSEMIESA-N
MW241.48 g/mol
LogP4.10
Rot. Bonds3

About N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine

N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine (PubChem CID 140768209) has the molecular formula C12H23NSSi and a molecular weight of 241.48 g/mol. Its IUPAC name is N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine.

Molecular Properties

Compound NameN-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine
PubChem CID140768209
Molecular FormulaC12H23NSSi
Molecular Weight241.48 g/mol
Exact Mass241.13
IUPAC NameN-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine
SMILESC[Si](C)(C)SC1CCC(=NC2CC2)CC1
InChIInChI=1S/C12H23NSSi/c1-15(2,3)14-12-8-6-11(7-9-12)13-10-4-5-10/h10,12H,4-9H2,1-3H3/b13-11-
InChIKeyIZWNLJALCDABBV-QBFSEMIESA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.48
LogP ≤ 54.10
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-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine?
The IUPAC name of N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine (CID 140768209) is N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine.
What is the SMILES notation for N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine?
The canonical SMILES for N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine is C[Si](C)(C)SC1CCC(=NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine?
The InChIKey is IZWNLJALCDABBV-QBFSEMIESA-N. The full InChI is InChI=1S/C12H23NSSi/c1-15(2,3)14-12-8-6-11(7-9-12)13-10-4-5-10/h10,12H,4-9H2,1-3H3/b13-11-.
What are the key properties of N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine?
N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine has a molecular weight of 241.48 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-trimethylsilylsulfanylcyclohexan-1-imine is sourced from PubChem (CID 140768209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).