N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine

C14H29N3O3Si — CID 54447675

IUPACN-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine
SMILESCCC(C)=NO[Si](CC)(ON=C(C)CC)ON=C(C)CC
InChIInChI=1S/C14H29N3O3Si/c1-8-12(5)15-18-21(11-4,19-16-13(6)9-2)20-17-14(7)10-3/h8-11H2,1-7H3
InChIKeyZMCWVNCBRTVRCF-UHFFFAOYSA-N
MW315.49 g/mol
LogP4.35
Rot. Bonds10

About N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine

N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine (PubChem CID 54447675) has the molecular formula C14H29N3O3Si and a molecular weight of 315.49 g/mol. Its IUPAC name is N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine.

Molecular Properties

Compound NameN-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine
PubChem CID54447675
Molecular FormulaC14H29N3O3Si
Molecular Weight315.49 g/mol
Exact Mass315.20
IUPAC NameN-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine
SMILESCCC(C)=NO[Si](CC)(ON=C(C)CC)ON=C(C)CC
InChIInChI=1S/C14H29N3O3Si/c1-8-12(5)15-18-21(11-4,19-16-13(6)9-2)20-17-14(7)10-3/h8-11H2,1-7H3
InChIKeyZMCWVNCBRTVRCF-UHFFFAOYSA-N
XLogP4.35
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine?
The IUPAC name of N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine (CID 54447675) is N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine.
What is the SMILES notation for N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine?
The canonical SMILES for N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine is CCC(C)=NO[Si](CC)(ON=C(C)CC)ON=C(C)CC.
What is the InChIKey of N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine?
The InChIKey is ZMCWVNCBRTVRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3Si/c1-8-12(5)15-18-21(11-4,19-16-13(6)9-2)20-17-14(7)10-3/h8-11H2,1-7H3.
What are the key properties of N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine?
N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine has a molecular weight of 315.49 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine is sourced from PubChem (CID 54447675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).