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

C35H45NO2Si2 — CID 22242907

IUPAC1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine
SMILESCC(C)(C)[Si](OCC(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H45NO2Si2/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
InChIKeyMLULMCPKQYBQTM-UHFFFAOYSA-N
MW567.92 g/mol
LogP5.47
Rot. Bonds10

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

1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine (PubChem CID 22242907) has the molecular formula C35H45NO2Si2 and a molecular weight of 567.92 g/mol. Its IUPAC name is 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine.

Molecular Properties

Compound Name1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine
PubChem CID22242907
Molecular FormulaC35H45NO2Si2
Molecular Weight567.92 g/mol
Exact Mass567.30
IUPAC Name1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine
SMILESCC(C)(C)[Si](OCC(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H45NO2Si2/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
InChIKeyMLULMCPKQYBQTM-UHFFFAOYSA-N
XLogP5.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.92
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2-amino-, reaction products with 1,3,5-trimethoxy-1,5-dimethyl-1,3,5-triphenyltrisiloxane
CID 90659486
1-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-2-propanamine
CID 13615027
(2S)-2-Amino-3-{[tert-butyl(diphenyl)silyl]oxy}propan-1-ol
CID 71362476
Bis(2-((tert-butyldiphenylsilyl)oxy)ethyl)amine
CID 11146292
(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine
CID 11198151
(S)-1-((tert-butyldiphenylsilyl)oxy)propan-2-amine
CID 13615028
2-(((1,1-Dimethylethyl)diphenylsilyl)oxy)-3-(((1,1-dimethylethyl)-diphenylsilyl)oxymethyl)-1-aminocyclobutane
CID 19794251
3,3-Bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
CID 19794255
4-[[3-Aminopropyl(diphenyl)silyl]methoxy-diphenylsilyl]butan-1-amine
CID 20608300
3-[[[3-Aminopropyl(diphenyl)silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]propan-1-amine
CID 21739277
Bis[4-aminobutyl(diphenyl)silyl] dimethyl silicate
CID 21739278
Bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate
CID 21739280

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine?
The IUPAC name of 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine (CID 22242907) is 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine.
What is the SMILES notation for 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine?
The canonical SMILES for 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine is CC(C)(C)[Si](OCC(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine?
The InChIKey is MLULMCPKQYBQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45NO2Si2/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.
What are the key properties of 1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine?
1,3-bis[[tert-butyl(diphenyl)silyl]oxy]propan-2-amine has a molecular weight of 567.92 g/mol, XLogP of 5.47, 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 is sourced from PubChem (CID 22242907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).