(2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine

C36H47NO2Si2 — CID 140800499

IUPAC(2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine
SMILESCC(C)(C)[Si](OCC[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H47NO2Si2/c1-35(2,3)40(31-19-11-7-12-20-31,32-21-13-8-14-22-32)38-28-27-30(37)29-39-41(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30H,27-29,37H2,1-6H3/t30-/m0/s1
InChIKeyIGQOGXDMOAYQHF-PMERELPUSA-N
MW581.95 g/mol
LogP5.86
Rot. Bonds11

About (2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine

(2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine (PubChem CID 140800499) has the molecular formula C36H47NO2Si2 and a molecular weight of 581.95 g/mol. Its IUPAC name is (2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine.

Molecular Properties

Compound Name(2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine
PubChem CID140800499
Molecular FormulaC36H47NO2Si2
Molecular Weight581.95 g/mol
Exact Mass581.31
IUPAC Name(2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine
SMILESCC(C)(C)[Si](OCC[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H47NO2Si2/c1-35(2,3)40(31-19-11-7-12-20-31,32-21-13-8-14-22-32)38-28-27-30(37)29-39-41(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30H,27-29,37H2,1-6H3/t30-/m0/s1
InChIKeyIGQOGXDMOAYQHF-PMERELPUSA-N
XLogP5.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.95
LogP ≤ 55.86
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 (2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine?
The IUPAC name of (2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine (CID 140800499) is (2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine.
What is the SMILES notation for (2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine?
The canonical SMILES for (2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine is CC(C)(C)[Si](OCC[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine?
The InChIKey is IGQOGXDMOAYQHF-PMERELPUSA-N. The full InChI is InChI=1S/C36H47NO2Si2/c1-35(2,3)40(31-19-11-7-12-20-31,32-21-13-8-14-22-32)38-28-27-30(37)29-39-41(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30H,27-29,37H2,1-6H3/t30-/m0/s1.
What are the key properties of (2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine?
(2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine has a molecular weight of 581.95 g/mol, XLogP of 5.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]butan-2-amine is sourced from PubChem (CID 140800499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).