4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol

C15H25NO2 — CID 163643551

IUPAC4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol
SMILESOC1C2C3CCC(C3)C2C(O)N1C1CCCCC1
InChIInChI=1S/C15H25NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h9-15,17-18H,1-8H2
InChIKeyIGIRIASVFMJDRI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.93
Rot. Bonds1

About 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol

4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol (PubChem CID 163643551) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol.

Molecular Properties

Compound Name4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol
PubChem CID163643551
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol
SMILESOC1C2C3CCC(C3)C2C(O)N1C1CCCCC1
InChIInChI=1S/C15H25NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h9-15,17-18H,1-8H2
InChIKeyIGIRIASVFMJDRI-UHFFFAOYSA-N
XLogP1.93
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 142330158
(1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol
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CID 114095813
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CID 12673622
(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113652
1-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66470314
9-cyclobutyl-9-azabicyclo[3.3.1]nonane
CID 23151237
bicyclo[21.1.0]tetracosane
CID 123789596
nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
CID 101083105
bicyclo[11.1.0]tetradecane
CID 90981498

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol?
The IUPAC name of 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol (CID 163643551) is 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol.
What is the SMILES notation for 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol?
The canonical SMILES for 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol is OC1C2C3CCC(C3)C2C(O)N1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol?
The InChIKey is IGIRIASVFMJDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h9-15,17-18H,1-8H2.
What are the key properties of 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol?
4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol has a molecular weight of 251.37 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-azatricyclo[5.2.1.02,6]decane-3,5-diol is sourced from PubChem (CID 163643551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).