3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

C14H27NO3 — CID 171964213

IUPAC3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOC(CCC1(O)CC2CCCC(C1)N2C)OC
InChIInChI=1S/C14H27NO3/c1-15-11-5-4-6-12(15)10-14(16,9-11)8-7-13(17-2)18-3/h11-13,16H,4-10H2,1-3H3
InChIKeyUNYKAIOEVHVWQI-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.76
Rot. Bonds5

About 3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171964213) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171964213
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOC(CCC1(O)CC2CCCC(C1)N2C)OC
InChIInChI=1S/C14H27NO3/c1-15-11-5-4-6-12(15)10-14(16,9-11)8-7-13(17-2)18-3/h11-13,16H,4-10H2,1-3H3
InChIKeyUNYKAIOEVHVWQI-UHFFFAOYSA-N
XLogP1.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953156
3-(methoxymethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953073
3-[2-(2-methoxyethoxy)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964163
9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952833
3-but-3-ynyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952605
3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
CID 171952392
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
9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953204
8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961165
3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955867
3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952343

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171964213) is 3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is COC(CCC1(O)CC2CCCC(C1)N2C)OC.
What is the InChIKey of 3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is UNYKAIOEVHVWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-15-11-5-4-6-12(15)10-14(16,9-11)8-7-13(17-2)18-3/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 257.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171964213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).