3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol

C19H37NO — CID 65145844

IUPAC3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCCCCCCCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-14-19(21)15-17-12-13-18(16-19)20-17/h17-18,20-21H,2-16H2,1H3
InChIKeyLACYLIIVWUNIRN-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.94
Rot. Bonds11

About 3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol

3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65145844) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65145844
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCCCCCCCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-14-19(21)15-17-12-13-18(16-19)20-17/h17-18,20-21H,2-16H2,1H3
InChIKeyLACYLIIVWUNIRN-UHFFFAOYSA-N
XLogP4.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.94
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

3-ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45083126
3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 171964257
3-octyl-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171959535
8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171953542
3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263
1-heptadecylcyclopropan-1-ol
CID 2802251
9,9-dioxo-3-undecyl-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171962632
3-dodecyl-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171957537
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
CID 171952391
1-decyl-4-ethylcyclohexan-1-ol
CID 65147378
9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952833
3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65145951

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol (CID 65145844) is 3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol is CCCCCCCCCCCCC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LACYLIIVWUNIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-14-19(21)15-17-12-13-18(16-19)20-17/h17-18,20-21H,2-16H2,1H3.
What are the key properties of 3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol?
3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 295.51 g/mol, XLogP of 4.94, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65145844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).