N-silyloxybutan-2-imine

C4H11NOSi — CID 123155500

IUPACN-silyloxybutan-2-imine
SMILESCCC(C)=NO[SiH3]
InChIInChI=1S/C4H11NOSi/c1-3-4(2)5-6-7/h3H2,1-2,7H3
InChIKeyDJPPHPCDIDAWOP-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.07
Rot. Bonds2

About N-silyloxybutan-2-imine

N-silyloxybutan-2-imine (PubChem CID 123155500) has the molecular formula C4H11NOSi and a molecular weight of 117.22 g/mol. Its IUPAC name is N-silyloxybutan-2-imine.

Molecular Properties

Compound NameN-silyloxybutan-2-imine
PubChem CID123155500
Molecular FormulaC4H11NOSi
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC NameN-silyloxybutan-2-imine
SMILESCCC(C)=NO[SiH3]
InChIInChI=1S/C4H11NOSi/c1-3-4(2)5-6-7/h3H2,1-2,7H3
InChIKeyDJPPHPCDIDAWOP-UHFFFAOYSA-N
XLogP0.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.07
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-silyloxybutan-2-imine?
The IUPAC name of N-silyloxybutan-2-imine (CID 123155500) is N-silyloxybutan-2-imine.
What is the SMILES notation for N-silyloxybutan-2-imine?
The canonical SMILES for N-silyloxybutan-2-imine is CCC(C)=NO[SiH3].
What is the InChIKey of N-silyloxybutan-2-imine?
The InChIKey is DJPPHPCDIDAWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOSi/c1-3-4(2)5-6-7/h3H2,1-2,7H3.
What are the key properties of N-silyloxybutan-2-imine?
N-silyloxybutan-2-imine has a molecular weight of 117.22 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-silyloxybutan-2-imine is sourced from PubChem (CID 123155500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).