3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

C14H27NO3 — CID 171964163

IUPAC3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOCCOCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C14H27NO3/c1-15-12-4-3-5-13(15)11-14(16,10-12)6-7-18-9-8-17-2/h12-13,16H,3-11H2,1-2H3
InChIKeyHCSGPQPKMKVANS-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.42
Rot. Bonds6

About 3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171964163) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171964163
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOCCOCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C14H27NO3/c1-15-12-4-3-5-13(15)11-14(16,10-12)6-7-18-9-8-17-2/h12-13,16H,3-11H2,1-2H3
InChIKeyHCSGPQPKMKVANS-UHFFFAOYSA-N
XLogP1.42
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953073
9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953156
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171955833
tert-butyl 3-hydroxy-3-[2-(2-methoxyethoxy)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171964154
9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952833
benzyl 3-hydroxy-3-[2-(2-methoxyethoxy)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171964156
benzyl 3-hydroxy-3-(2-methoxyethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171952431
3-but-3-ynyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952605
ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 62541011
8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171953542
9-methyl-3-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952737
5-methoxy-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one
CID 171937828

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171964163) is 3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is COCCOCCC1(O)CC2CCCC(C1)N2C.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is HCSGPQPKMKVANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-15-12-4-3-5-13(15)11-14(16,10-12)6-7-18-9-8-17-2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 257.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171964163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).