(E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

C16H31NOSi — CID 11065881

IUPAC(E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)/C(=N/O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C16H31NOSi/c1-14(2,3)19(7,8)18-17-13-11-12-9-10-16(13,6)15(12,4)5/h12H,9-11H2,1-8H3/b17-13+/t12-,16+/m1/s1
InChIKeyJLYLMCONIYGRGE-BQRJLUARSA-N
MW281.52 g/mol
LogP5.21
Rot. Bonds2

About (E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

(E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (PubChem CID 11065881) has the molecular formula C16H31NOSi and a molecular weight of 281.52 g/mol. Its IUPAC name is (E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name(E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
PubChem CID11065881
Molecular FormulaC16H31NOSi
Molecular Weight281.52 g/mol
Exact Mass281.22
IUPAC Name(E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)/C(=N/O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C16H31NOSi/c1-14(2,3)19(7,8)18-17-13-11-12-9-10-16(13,6)15(12,4)5/h12H,9-11H2,1-8H3/b17-13+/t12-,16+/m1/s1
InChIKeyJLYLMCONIYGRGE-BQRJLUARSA-N
XLogP5.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of (E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (CID 11065881) is (E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for (E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for (E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of (E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is JLYLMCONIYGRGE-BQRJLUARSA-N. The full InChI is InChI=1S/C16H31NOSi/c1-14(2,3)19(7,8)18-17-13-11-12-9-10-16(13,6)15(12,4)5/h12H,9-11H2,1-8H3/b17-13+/t12-,16+/m1/s1.
What are the key properties of (E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
(E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 281.52 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 11065881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).