tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane

C16H27NOSi — CID 69220700

IUPACtert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1CCCNc2ccccc21
InChIInChI=1S/C16H27NOSi/c1-16(2,3)19(4,5)18-15-11-8-12-17-14-10-7-6-9-13(14)15/h6-7,9-10,15,17H,8,11-12H2,1-5H3
InChIKeyFVMGGHHYAMCBOF-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.96
Rot. Bonds2

About tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane

tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane (PubChem CID 69220700) has the molecular formula C16H27NOSi and a molecular weight of 277.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane
PubChem CID69220700
Molecular FormulaC16H27NOSi
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Nametert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1CCCNc2ccccc21
InChIInChI=1S/C16H27NOSi/c1-16(2,3)19(4,5)18-15-11-8-12-17-14-10-7-6-9-13(14)15/h6-7,9-10,15,17H,8,11-12H2,1-5H3
InChIKeyFVMGGHHYAMCBOF-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.96
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-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane (CID 69220700) is tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane is CC(C)(C)[Si](C)(C)OC1CCCNc2ccccc21.
What is the InChIKey of tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane?
The InChIKey is FVMGGHHYAMCBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOSi/c1-16(2,3)19(4,5)18-15-11-8-12-17-14-10-7-6-9-13(14)15/h6-7,9-10,15,17H,8,11-12H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane?
tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane has a molecular weight of 277.48 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane is sourced from PubChem (CID 69220700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).