3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine

C13H28N2O3Si — CID 173043323

IUPAC3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine
SMILESC[SiH2]OC(C)(ON=C(C)C(C)C)ON=C(C)C(C)C
InChIInChI=1S/C13H28N2O3Si/c1-9(2)11(5)14-16-13(7,18-19-8)17-15-12(6)10(3)4/h9-10H,19H2,1-8H3
InChIKeyOZGRHISDDVZZAQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.91
Rot. Bonds8

About 3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine

3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine (PubChem CID 173043323) has the molecular formula C13H28N2O3Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine
PubChem CID173043323
Molecular FormulaC13H28N2O3Si
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine
SMILESC[SiH2]OC(C)(ON=C(C)C(C)C)ON=C(C)C(C)C
InChIInChI=1S/C13H28N2O3Si/c1-9(2)11(5)14-16-13(7,18-19-8)17-15-12(6)10(3)4/h9-10H,19H2,1-8H3
InChIKeyOZGRHISDDVZZAQ-UHFFFAOYSA-N
XLogP2.91
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-silyloxybutan-2-imine
CID 130884535
[(E)-3-methylbutan-2-ylideneamino] carbamate
CID 143595167
N-(2,3-dimethylbutan-2-yl)-3-methylbutan-2-imine
CID 118217255
2-(3-methylbutan-2-ylideneamino)oxyacetic acid
CID 77013154
2,4-dimethyl-N-sulfanyloxypentan-3-imine
CID 166866795
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane
CID 87070138
N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine
CID 87220507
2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene
CID 123882095
(2,4-dimethylpentan-3-ylideneamino) acetate
CID 129117701
[(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate
CID 129117712
(1S)-1-[5-[(1S)-1-hydroxyethyl]-4-[(E)-3-methylbutan-2-ylideneamino]-1,2,4-triazol-3-yl]ethanol
CID 45125722
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine?
The IUPAC name of 3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine (CID 173043323) is 3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine.
What is the SMILES notation for 3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine?
The canonical SMILES for 3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine is C[SiH2]OC(C)(ON=C(C)C(C)C)ON=C(C)C(C)C.
What is the InChIKey of 3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine?
The InChIKey is OZGRHISDDVZZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3Si/c1-9(2)11(5)14-16-13(7,18-19-8)17-15-12(6)10(3)4/h9-10H,19H2,1-8H3.
What are the key properties of 3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine?
3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine has a molecular weight of 288.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-methylbutan-2-ylideneamino)oxy-1-methylsilyloxyethoxy]butan-2-imine is sourced from PubChem (CID 173043323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).