N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine

C10H22N2O3Si — CID 54422536

IUPACN-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine
SMILESCCC(C)=NO[Si](C)(OC)ON=C(C)CC
InChIInChI=1S/C10H22N2O3Si/c1-7-9(3)11-14-16(6,13-5)15-12-10(4)8-2/h7-8H2,1-6H3
InChIKeyWBUXMJIQDHBCAY-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.81
Rot. Bonds7

About N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine

N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine (PubChem CID 54422536) has the molecular formula C10H22N2O3Si and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine.

Molecular Properties

Compound NameN-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine
PubChem CID54422536
Molecular FormulaC10H22N2O3Si
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine
SMILESCCC(C)=NO[Si](C)(OC)ON=C(C)CC
InChIInChI=1S/C10H22N2O3Si/c1-7-9(3)11-14-16(6,13-5)15-12-10(4)8-2/h7-8H2,1-6H3
InChIKeyWBUXMJIQDHBCAY-UHFFFAOYSA-N
XLogP2.81
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine?
The IUPAC name of N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine (CID 54422536) is N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine.
What is the SMILES notation for N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine?
The canonical SMILES for N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine is CCC(C)=NO[Si](C)(OC)ON=C(C)CC.
What is the InChIKey of N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine?
The InChIKey is WBUXMJIQDHBCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3Si/c1-7-9(3)11-14-16(6,13-5)15-12-10(4)8-2/h7-8H2,1-6H3.
What are the key properties of N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine?
N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine has a molecular weight of 246.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine is sourced from PubChem (CID 54422536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).