3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol

C14H25NOSi — CID 171964286

IUPAC3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC[Si](C)(C)C#CCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C14H25NOSi/c1-17(2,3)9-5-8-14(16)10-12-6-4-7-13(11-14)15-12/h12-13,15-16H,4,6-8,10-11H2,1-3H3
InChIKeyNVMBYNCQDVFEMH-UHFFFAOYSA-N
MW251.45 g/mol
LogP2.29
Rot. Bonds1

About 3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171964286) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is 3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171964286
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC[Si](C)(C)C#CCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C14H25NOSi/c1-17(2,3)9-5-8-14(16)10-12-6-4-7-13(11-14)15-12/h12-13,15-16H,4,6-8,10-11H2,1-3H3
InChIKeyNVMBYNCQDVFEMH-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 52.29
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'}

Analyze 3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol with MolForge

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Related Compounds

3-Methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 45792730
(1R,5S)-3-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 51893327
(1S,5S)-3-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98055791
(1R,5R)-3-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98055792
2-Methyl-1-piperidin-2-ylhept-5-yn-2-ol
CID 116009523
3-[2-(Dimethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952007
3-(4-Methylpentyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952131
3-Hexyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952180
3-(3,3-Dimethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952204
3-(2-Ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952228
3-(1-Trimethylsilylethenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952278
3-(2-Methylpropyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952519

Frequently Asked Questions

What is the IUPAC name of 3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171964286) is 3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol is C[Si](C)(C)C#CCC1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is NVMBYNCQDVFEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOSi/c1-17(2,3)9-5-8-14(16)10-12-6-4-7-13(11-14)15-12/h12-13,15-16H,4,6-8,10-11H2,1-3H3.
What are the key properties of 3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(3-trimethylsilylprop-2-ynyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 251.45 g/mol, XLogP of 2.29, 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)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171964286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).