N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine

C13H21NOSi — CID 88776014

IUPACN-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine
SMILESCCCC=NOC[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H21NOSi/c1-4-5-11-14-15-12-16(2,3)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3
InChIKeyUPGNKTNJNGFRJZ-UHFFFAOYSA-N
MW235.40 g/mol
LogP2.94
Rot. Bonds6

About N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine

N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine (PubChem CID 88776014) has the molecular formula C13H21NOSi and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine.

Molecular Properties

Compound NameN-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine
PubChem CID88776014
Molecular FormulaC13H21NOSi
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine
SMILESCCCC=NOC[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H21NOSi/c1-4-5-11-14-15-12-16(2,3)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3
InChIKeyUPGNKTNJNGFRJZ-UHFFFAOYSA-N
XLogP2.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 52.94
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-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine?
The IUPAC name of N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine (CID 88776014) is N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine.
What is the SMILES notation for N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine?
The canonical SMILES for N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine is CCCC=NOC[Si](C)(C)c1ccccc1.
What is the InChIKey of N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine?
The InChIKey is UPGNKTNJNGFRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOSi/c1-4-5-11-14-15-12-16(2,3)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3.
What are the key properties of N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine?
N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine has a molecular weight of 235.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethyl(phenyl)silyl]methoxy]butan-1-imine is sourced from PubChem (CID 88776014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).