9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one

C14H25NO2 — CID 82946979

IUPAC9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCCOCCCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C14H25NO2/c1-2-8-17-9-4-7-15-12-5-3-6-13(15)11-14(16)10-12/h12-13H,2-11H2,1H3
InChIKeyJIQGXZBWIYPKRG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.39
Rot. Bonds6

About 9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 82946979) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID82946979
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCCOCCCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C14H25NO2/c1-2-8-17-9-4-7-15-12-5-3-6-13(15)11-14(16)10-12/h12-13H,2-11H2,1H3
InChIKeyJIQGXZBWIYPKRG-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(3-propoxypropyl)-8-azabicyclo[3.2.1]octan-3-one
CID 82946980
9-[3-(cyclopropylmethoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 114097720
8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide
CID 172885108
9-[2-(2,2,2-trifluoroethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 55261850
9-(3-cyclopentylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 106008376
9-(7-methyloctyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114004422
N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide
CID 106338262
9-[2-[di(propan-2-yl)amino]ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62714644
9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712336
9-[2-(1-methylpiperidin-4-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 114516711
8-heptyl-8-azabicyclo[3.2.1]octane
CID 138507431
9-[2-(3-methylphenoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62712519

Frequently Asked Questions

What is the IUPAC name of 9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 82946979) is 9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one is CCCOCCCN1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is JIQGXZBWIYPKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-8-17-9-4-7-15-12-5-3-6-13(15)11-14(16)10-12/h12-13H,2-11H2,1H3.
What are the key properties of 9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 239.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 82946979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).