1-tert-butyl-4,4-diphenyl-1,4-azasilinane

C20H27NSi — CID 12930317

IUPAC1-tert-butyl-4,4-diphenyl-1,4-azasilinane
SMILESCC(C)(C)N1CC[Si](c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C20H27NSi/c1-20(2,3)21-14-16-22(17-15-21,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
InChIKeyNOFAAXHKEGILTM-UHFFFAOYSA-N
MW309.53 g/mol
LogP3.36
Rot. Bonds2

About 1-tert-butyl-4,4-diphenyl-1,4-azasilinane

1-tert-butyl-4,4-diphenyl-1,4-azasilinane (PubChem CID 12930317) has the molecular formula C20H27NSi and a molecular weight of 309.53 g/mol. Its IUPAC name is 1-tert-butyl-4,4-diphenyl-1,4-azasilinane.

Molecular Properties

Compound Name1-tert-butyl-4,4-diphenyl-1,4-azasilinane
PubChem CID12930317
Molecular FormulaC20H27NSi
Molecular Weight309.53 g/mol
Exact Mass309.19
IUPAC Name1-tert-butyl-4,4-diphenyl-1,4-azasilinane
SMILESCC(C)(C)N1CC[Si](c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C20H27NSi/c1-20(2,3)21-14-16-22(17-15-21,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
InChIKeyNOFAAXHKEGILTM-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-tert-butyl-4,4-diphenyl-1,4-azasilinane?
The IUPAC name of 1-tert-butyl-4,4-diphenyl-1,4-azasilinane (CID 12930317) is 1-tert-butyl-4,4-diphenyl-1,4-azasilinane.
What is the SMILES notation for 1-tert-butyl-4,4-diphenyl-1,4-azasilinane?
The canonical SMILES for 1-tert-butyl-4,4-diphenyl-1,4-azasilinane is CC(C)(C)N1CC[Si](c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 1-tert-butyl-4,4-diphenyl-1,4-azasilinane?
The InChIKey is NOFAAXHKEGILTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NSi/c1-20(2,3)21-14-16-22(17-15-21,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3.
What are the key properties of 1-tert-butyl-4,4-diphenyl-1,4-azasilinane?
1-tert-butyl-4,4-diphenyl-1,4-azasilinane has a molecular weight of 309.53 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-diphenyl-1,4-azasilinane is sourced from PubChem (CID 12930317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).