tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane

C20H28N2Si — CID 141376114

IUPACtert-butyl-(1,3-diazinan-1-yl)-diphenylsilane
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)N1CCCNC1
InChIInChI=1S/C20H28N2Si/c1-20(2,3)23(18-11-6-4-7-12-18,19-13-8-5-9-14-19)22-16-10-15-21-17-22/h4-9,11-14,21H,10,15-17H2,1-3H3
InChIKeyMLNRYZPGDBUORJ-UHFFFAOYSA-N
MW324.54 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane

tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane (PubChem CID 141376114) has the molecular formula C20H28N2Si and a molecular weight of 324.54 g/mol. Its IUPAC name is tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(1,3-diazinan-1-yl)-diphenylsilane
PubChem CID141376114
Molecular FormulaC20H28N2Si
Molecular Weight324.54 g/mol
Exact Mass324.20
IUPAC Nametert-butyl-(1,3-diazinan-1-yl)-diphenylsilane
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)N1CCCNC1
InChIInChI=1S/C20H28N2Si/c1-20(2,3)23(18-11-6-4-7-12-18,19-13-8-5-9-14-19)22-16-10-15-21-17-22/h4-9,11-14,21H,10,15-17H2,1-3H3
InChIKeyMLNRYZPGDBUORJ-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane?
The IUPAC name of tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane (CID 141376114) is tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane.
What is the SMILES notation for tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane?
The canonical SMILES for tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)N1CCCNC1.
What is the InChIKey of tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane?
The InChIKey is MLNRYZPGDBUORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2Si/c1-20(2,3)23(18-11-6-4-7-12-18,19-13-8-5-9-14-19)22-16-10-15-21-17-22/h4-9,11-14,21H,10,15-17H2,1-3H3.
What are the key properties of tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane?
tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane has a molecular weight of 324.54 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,3-diazinan-1-yl)-diphenylsilane is sourced from PubChem (CID 141376114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).