2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane

C24H33NOSi — CID 66742513

IUPAC2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC[C@@H]1C[C@H]2C[C@H]2CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NOSi/c1-24(2,3)27(22-10-6-4-7-11-22,23-12-8-5-9-13-23)26-15-14-21-17-19-16-20(19)18-25-21/h4-13,19-21,25H,14-18H2,1-3H3/t19-,20+,21-/m1/s1
InChIKeySEVSMRRZHBIWLZ-QHAWAJNXSA-N
MW379.62 g/mol
LogP3.95
Rot. Bonds6

About 2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane

2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane (PubChem CID 66742513) has the molecular formula C24H33NOSi and a molecular weight of 379.62 g/mol. Its IUPAC name is 2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane
PubChem CID66742513
Molecular FormulaC24H33NOSi
Molecular Weight379.62 g/mol
Exact Mass379.23
IUPAC Name2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC[C@@H]1C[C@H]2C[C@H]2CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NOSi/c1-24(2,3)27(22-10-6-4-7-11-22,23-12-8-5-9-13-23)26-15-14-21-17-19-16-20(19)18-25-21/h4-13,19-21,25H,14-18H2,1-3H3/t19-,20+,21-/m1/s1
InChIKeySEVSMRRZHBIWLZ-QHAWAJNXSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.62
LogP ≤ 53.95
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 2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane (CID 66742513) is 2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCC[C@@H]1C[C@H]2C[C@H]2CN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane?
The InChIKey is SEVSMRRZHBIWLZ-QHAWAJNXSA-N. The full InChI is InChI=1S/C24H33NOSi/c1-24(2,3)27(22-10-6-4-7-11-22,23-12-8-5-9-13-23)26-15-14-21-17-19-16-20(19)18-25-21/h4-13,19-21,25H,14-18H2,1-3H3/t19-,20+,21-/m1/s1.
What are the key properties of 2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane?
2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane has a molecular weight of 379.62 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 66742513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).