3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol

C13H23NOSi — CID 171964276

IUPAC3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[Si](C)(C)C#CCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C13H23NOSi/c1-16(2,3)8-4-7-13(15)9-11-5-6-12(10-13)14-11/h11-12,14-15H,5-7,9-10H2,1-3H3
InChIKeyKLTBGLMNXXNXSL-UHFFFAOYSA-N
MW237.42 g/mol
LogP1.90
Rot. Bonds1

About 3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171964276) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is 3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171964276
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC Name3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[Si](C)(C)C#CCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C13H23NOSi/c1-16(2,3)8-4-7-13(15)9-11-5-6-12(10-13)14-11/h11-12,14-15H,5-7,9-10H2,1-3H3
InChIKeyKLTBGLMNXXNXSL-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171964276) is 3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol is C[Si](C)(C)C#CCC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is KLTBGLMNXXNXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-16(2,3)8-4-7-13(15)9-11-5-6-12(10-13)14-11/h11-12,14-15H,5-7,9-10H2,1-3H3.
What are the key properties of 3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 237.42 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trimethylsilylprop-2-ynyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).