4-azatricyclo[4.3.1.13,8]undecan-2-ol

C10H17NO — CID 12518461

IUPAC4-azatricyclo[4.3.1.13,8]undecan-2-ol
SMILESOC1C2CC3CNC1CC(C3)C2
InChIInChI=1S/C10H17NO/c12-10-8-2-6-1-7(3-8)5-11-9(10)4-6/h6-12H,1-5H2
InChIKeyFEZAXXZQPIJIRJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.76
Rot. Bonds

About 4-azatricyclo[4.3.1.13,8]undecan-2-ol

4-azatricyclo[4.3.1.13,8]undecan-2-ol (PubChem CID 12518461) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-azatricyclo[4.3.1.13,8]undecan-2-ol.

Molecular Properties

Compound Name4-azatricyclo[4.3.1.13,8]undecan-2-ol
PubChem CID12518461
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-azatricyclo[4.3.1.13,8]undecan-2-ol
SMILESOC1C2CC3CNC1CC(C3)C2
InChIInChI=1S/C10H17NO/c12-10-8-2-6-1-7(3-8)5-11-9(10)4-6/h6-12H,1-5H2
InChIKeyFEZAXXZQPIJIRJ-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 122715526
(1S,4R,6R)-N,N-dimethyl-2-azabicyclo[2.2.1]heptan-6-amine
CID 155973742
(1S,4S)-2-azabicyclo[2.1.0]pentane
CID 29082085
(1R,4R)-2-azabicyclo[2.1.0]pentane
CID 29082087
(1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol
CID 101350976
(1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane
CID 164585492
2-azabicyclo[2.1.0]pentane;hydrochloride
CID 67309553
adamantane;hydrogen peroxide
CID 159706724
(1S,3R,4S,5R,7R)-4-hydroxyadamantan-2-one
CID 98044026
(1R,3S,4S,5S,7R)-4-hydroxyadamantan-2-one
CID 15561422
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136

Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-2-ol?
The IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-2-ol (CID 12518461) is 4-azatricyclo[4.3.1.13,8]undecan-2-ol.
What is the SMILES notation for 4-azatricyclo[4.3.1.13,8]undecan-2-ol?
The canonical SMILES for 4-azatricyclo[4.3.1.13,8]undecan-2-ol is OC1C2CC3CNC1CC(C3)C2.
What is the InChIKey of 4-azatricyclo[4.3.1.13,8]undecan-2-ol?
The InChIKey is FEZAXXZQPIJIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-8-2-6-1-7(3-8)5-11-9(10)4-6/h6-12H,1-5H2.
What are the key properties of 4-azatricyclo[4.3.1.13,8]undecan-2-ol?
4-azatricyclo[4.3.1.13,8]undecan-2-ol has a molecular weight of 167.25 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.3.1.13,8]undecan-2-ol is sourced from PubChem (CID 12518461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).