N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine

C15H37NO4Si3 — CID 553104

IUPACN-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine
SMILESCON=CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H37NO4Si3/c1-17-16-12-11-14(19-22(5,6)7)15(20-23(8,9)10)13-18-21(2,3)4/h12,14-15H,11,13H2,1-10H3
InChIKeyNHTUKGGVQKRAQX-UHFFFAOYSA-N
MW379.72 g/mol
LogP4.30
Rot. Bonds11

About N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine

N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine (PubChem CID 553104) has the molecular formula C15H37NO4Si3 and a molecular weight of 379.72 g/mol. Its IUPAC name is N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine.

Molecular Properties

Compound NameN-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine
PubChem CID553104
Molecular FormulaC15H37NO4Si3
Molecular Weight379.72 g/mol
Exact Mass379.20
IUPAC NameN-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine
SMILESCON=CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H37NO4Si3/c1-17-16-12-11-14(19-22(5,6)7)15(20-23(8,9)10)13-18-21(2,3)4/h12,14-15H,11,13H2,1-10H3
InChIKeyNHTUKGGVQKRAQX-UHFFFAOYSA-N
XLogP4.30
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.72
LogP ≤ 54.30
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'}

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Related Compounds

N,3,4,5-tetrakis(trimethylsilyloxy)pentan-1-imine
CID 91750499
(E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine
CID 20845407
trimethyl-[1,2,5-tris(trimethylsilyloxy)pentan-3-yloxy]silane
CID 552765
N-methoxy-2,3-bis(trimethylsilyloxy)propan-1-imine
CID 552729
(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal
CID 91750469
trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane
CID 22214216
(2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 101280607
(3R,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 91750476
(3R,4S)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one
CID 91753982
trimethylsilyl (2R,3S)-2,3,4-tris(trimethylsilyloxy)butanoate
CID 15720760
trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate
CID 91746743
(E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine
CID 14767957

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine?
The IUPAC name of N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine (CID 553104) is N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine.
What is the SMILES notation for N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine?
The canonical SMILES for N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine is CON=CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine?
The InChIKey is NHTUKGGVQKRAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H37NO4Si3/c1-17-16-12-11-14(19-22(5,6)7)15(20-23(8,9)10)13-18-21(2,3)4/h12,14-15H,11,13H2,1-10H3.
What are the key properties of N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine?
N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine has a molecular weight of 379.72 g/mol, XLogP of 4.30, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3,4,5-tris(trimethylsilyloxy)pentan-1-imine is sourced from PubChem (CID 553104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).