tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane

C25H38N2OSi — CID 153402327

IUPACtert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CNCC(Cc2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C25H38N2OSi/c1-25(2,3)29(4,5)28-24-18-26-17-23(16-21-12-8-6-9-13-21)27(20-24)19-22-14-10-7-11-15-22/h6-15,23-24,26H,16-20H2,1-5H3
InChIKeyIOHXQJSWSDBQQH-UHFFFAOYSA-N
MW410.68 g/mol
LogP5.09
Rot. Bonds6

About tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane

tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane (PubChem CID 153402327) has the molecular formula C25H38N2OSi and a molecular weight of 410.68 g/mol. Its IUPAC name is tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane
PubChem CID153402327
Molecular FormulaC25H38N2OSi
Molecular Weight410.68 g/mol
Exact Mass410.28
IUPAC Nametert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CNCC(Cc2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C25H38N2OSi/c1-25(2,3)29(4,5)28-24-18-26-17-23(16-21-12-8-6-9-13-21)27(20-24)19-22-14-10-7-11-15-22/h6-15,23-24,26H,16-20H2,1-5H3
InChIKeyIOHXQJSWSDBQQH-UHFFFAOYSA-N
XLogP5.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.68
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 139674628
(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane
CID 152571898
[(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 67752095
(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 175140102
1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 67033582
[(3R,5R)-1-benzyl-5-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 139716813
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 102324960
ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
CID 23248578
1,2,5-tribenzylpiperazine
CID 64850137
(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 102262809
1,2-dibenzyl-5-propan-2-ylpiperazine
CID 64838668
4-[[(2S)-2-benzylpiperazin-1-yl]methyl]benzoic acid
CID 45072762

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane (CID 153402327) is tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CNCC(Cc2ccccc2)N(Cc2ccccc2)C1.
What is the InChIKey of tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane?
The InChIKey is IOHXQJSWSDBQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2OSi/c1-25(2,3)29(4,5)28-24-18-26-17-23(16-21-12-8-6-9-13-21)27(20-24)19-22-14-10-7-11-15-22/h6-15,23-24,26H,16-20H2,1-5H3.
What are the key properties of tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane?
tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane has a molecular weight of 410.68 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane is sourced from PubChem (CID 153402327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).