N-methylsilyloxybutan-2-imine

C5H13NOSi — CID 123529923

IUPACN-methylsilyloxybutan-2-imine
SMILESCCC(C)=NO[SiH2]C
InChIInChI=1S/C5H13NOSi/c1-4-5(2)6-7-8-3/h4,8H2,1-3H3
InChIKeyRXKQQFYHVHIUJR-UHFFFAOYSA-N
MW131.25 g/mol
LogP0.92
Rot. Bonds3

About N-methylsilyloxybutan-2-imine

N-methylsilyloxybutan-2-imine (PubChem CID 123529923) has the molecular formula C5H13NOSi and a molecular weight of 131.25 g/mol. Its IUPAC name is N-methylsilyloxybutan-2-imine.

Molecular Properties

Compound NameN-methylsilyloxybutan-2-imine
PubChem CID123529923
Molecular FormulaC5H13NOSi
Molecular Weight131.25 g/mol
Exact Mass131.08
IUPAC NameN-methylsilyloxybutan-2-imine
SMILESCCC(C)=NO[SiH2]C
InChIInChI=1S/C5H13NOSi/c1-4-5(2)6-7-8-3/h4,8H2,1-3H3
InChIKeyRXKQQFYHVHIUJR-UHFFFAOYSA-N
XLogP0.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.25
LogP ≤ 50.92
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-methylsilyloxybutan-2-imine?
The IUPAC name of N-methylsilyloxybutan-2-imine (CID 123529923) is N-methylsilyloxybutan-2-imine.
What is the SMILES notation for N-methylsilyloxybutan-2-imine?
The canonical SMILES for N-methylsilyloxybutan-2-imine is CCC(C)=NO[SiH2]C.
What is the InChIKey of N-methylsilyloxybutan-2-imine?
The InChIKey is RXKQQFYHVHIUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOSi/c1-4-5(2)6-7-8-3/h4,8H2,1-3H3.
What are the key properties of N-methylsilyloxybutan-2-imine?
N-methylsilyloxybutan-2-imine has a molecular weight of 131.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsilyloxybutan-2-imine is sourced from PubChem (CID 123529923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).