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

C23H31NOSi — CID 59363644

IUPAC[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CC2C[C@H]2CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-17-20-15-18-14-19(18)16-24-20/h4-13,18-20,24H,14-17H2,1-3H3/t18?,19-,20-/m0/s1
InChIKeyMCOWLVUQWGTNJE-YPJRHXLCSA-N
MW365.59 g/mol
LogP3.56
Rot. Bonds5

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

[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 59363644) has the molecular formula C23H31NOSi and a molecular weight of 365.59 g/mol. Its IUPAC name is [(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID59363644
Molecular FormulaC23H31NOSi
Molecular Weight365.59 g/mol
Exact Mass365.22
IUPAC Name[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CC2C[C@H]2CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-17-20-15-18-14-19(18)16-24-20/h4-13,18-20,24H,14-17H2,1-3H3/t18?,19-,20-/m0/s1
InChIKeyMCOWLVUQWGTNJE-YPJRHXLCSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 138981412
CID 138981412
CID 11189155
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CID 59363649
CID 59363649
CID 66742513
CID 66742513
CID 67538361
CID 67538361
CID 67955224
CID 67955224
CID 68040214
CID 68040214
CID 71186121
CID 71186121
CID 71187339
CID 71187339
CID 85429224
CID 85429224
CID 87131799
CID 87131799
CID 87132088
CID 87132088

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane (CID 59363644) is [(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1CC2C[C@H]2CN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is MCOWLVUQWGTNJE-YPJRHXLCSA-N. The full InChI is InChI=1S/C23H31NOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-17-20-15-18-14-19(18)16-24-20/h4-13,18-20,24H,14-17H2,1-3H3/t18?,19-,20-/m0/s1.
What are the key properties of [(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane?
[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 365.59 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 59363644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).