1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane

C38H54AlNO2Si2 — CID 22243078

IUPAC1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane
SMILESCC(C)(C)[Si](OCC(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.C[Al](C)C
InChIInChI=1S/C35H45NO2Si2.3CH3.Al/c1-34(2,3)39(30-19-11-7-12-20-30,31-21-13-8-14-22-31)37-27-29(36)28-38-40(35(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33;;;;/h7-26,29H,27-28,36H2,1-6H3;3*1H3;
InChIKeyFQSCJWBRBJIJEP-UHFFFAOYSA-N
MW640.01 g/mol
LogP6.84
Rot. Bonds10

About 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane

1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane (PubChem CID 22243078) has the molecular formula C38H54AlNO2Si2 and a molecular weight of 640.01 g/mol. Its IUPAC name is 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane.

Molecular Properties

Compound Name1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane
PubChem CID22243078
Molecular FormulaC38H54AlNO2Si2
Molecular Weight640.01 g/mol
Exact Mass639.35
IUPAC Name1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane
SMILESCC(C)(C)[Si](OCC(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.C[Al](C)C
InChIInChI=1S/C35H45NO2Si2.3CH3.Al/c1-34(2,3)39(30-19-11-7-12-20-30,31-21-13-8-14-22-31)37-27-29(36)28-38-40(35(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33;;;;/h7-26,29H,27-28,36H2,1-6H3;3*1H3;
InChIKeyFQSCJWBRBJIJEP-UHFFFAOYSA-N
XLogP6.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.01
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane?
The IUPAC name of 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane (CID 22243078) is 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane.
What is the SMILES notation for 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane?
The canonical SMILES for 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane is CC(C)(C)[Si](OCC(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.C[Al](C)C.
What is the InChIKey of 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane?
The InChIKey is FQSCJWBRBJIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45NO2Si2.3CH3.Al/c1-34(2,3)39(30-19-11-7-12-20-30,31-21-13-8-14-22-31)37-27-29(36)28-38-40(35(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33;;;;/h7-26,29H,27-28,36H2,1-6H3;3*1H3;.
What are the key properties of 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane?
1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane has a molecular weight of 640.01 g/mol, XLogP of 6.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine;trimethylalumane is sourced from PubChem (CID 22243078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).