3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol

C14H27NO — CID 171952180

IUPAC3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCCCCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C14H27NO/c1-2-3-4-5-9-14(16)10-12-7-6-8-13(11-14)15-12/h12-13,15-16H,2-11H2,1H3
InChIKeyFXHPUOYURDIODL-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds5

About 3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol

3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952180) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952180
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCCCCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C14H27NO/c1-2-3-4-5-9-14(16)10-12-7-6-8-13(11-14)15-12/h12-13,15-16H,2-11H2,1H3
InChIKeyFXHPUOYURDIODL-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-((Piperidin-2-yl)methyl)cyclohexan-1-ol
CID 68606633
9-Aza-1-methylbicyclo[3.3.1]nonan-3-ol
CID 137291
(1R,3S)-i-Pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 129647981
3-(Trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 50990618
(1R,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 52420910
(1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113066
(1R,5R)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113068
5,5,5-Trifluoro-2-methyl-1-piperidin-2-ylpentan-2-ol
CID 116009422
6,6,6-Trifluoro-2-methyl-1-piperidin-2-ylhexan-2-ol
CID 116009551
3-(5-Fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952253
3-(5-Fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952254
3-(4-Fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952932

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952180) is 3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol is CCCCCCC1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is FXHPUOYURDIODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-9-14(16)10-12-7-6-8-13(11-14)15-12/h12-13,15-16H,2-11H2,1H3.
What are the key properties of 3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 225.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).