(1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol

C10H17NO — CID 130835060

IUPAC(1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol
SMILESO[C@]12CC[C@H](C[C@@H]3NCC[C@@H]31)C2
InChIInChI=1S/C10H17NO/c12-10-3-1-7(6-10)5-9-8(10)2-4-11-9/h7-9,11-12H,1-6H2/t7-,8+,9+,10+/m1/s1
InChIKeyXCHIEANCWNSEFV-KATARQTJSA-N
MW167.25 g/mol
LogP0.90
Rot. Bonds

About (1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol

(1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol (PubChem CID 130835060) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol.

Molecular Properties

Compound Name(1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol
PubChem CID130835060
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol
SMILESO[C@]12CC[C@H](C[C@@H]3NCC[C@@H]31)C2
InChIInChI=1S/C10H17NO/c12-10-3-1-7(6-10)5-9-8(10)2-4-11-9/h7-9,11-12H,1-6H2/t7-,8+,9+,10+/m1/s1
InChIKeyXCHIEANCWNSEFV-KATARQTJSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol with MolForge

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Related Compounds

(1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol
CID 130816097
tricyclo[4.2.1.03,7]nonan-3-ol
CID 4163021
1-methyl-2-(6-methyl-3-bicyclo[4.2.1]nonanyl)cyclopropan-1-ol
CID 123164851
(1S,3R,7R,8R)-tricyclo[5.2.1.03,8]decan-3-ol
CID 124785144
(1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol
CID 178202277
(1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride
CID 155820701
1-(4-ethylpiperidin-2-yl)-3-methylcyclopentan-1-ol
CID 64514765
3,4-dimethyl-1-(4-methylpiperidin-2-yl)cyclohexan-1-ol
CID 64746461
bicyclo[4.2.1]nonane-1,2-diol;methane
CID 87199074
(1S,3S,6S,7R,9R)-tricyclo[4.3.1.03,7]decane-3,9-diol
CID 130927450
2-fluorobicyclo[2.2.1]heptan-1-amine
CID 170915016
2-octoxybicyclo[2.2.1]heptan-1-ol
CID 68718849

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol?
The IUPAC name of (1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol (CID 130835060) is (1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol.
What is the SMILES notation for (1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol?
The canonical SMILES for (1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol is O[C@]12CC[C@H](C[C@@H]3NCC[C@@H]31)C2.
What is the InChIKey of (1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol?
The InChIKey is XCHIEANCWNSEFV-KATARQTJSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-3-1-7(6-10)5-9-8(10)2-4-11-9/h7-9,11-12H,1-6H2/t7-,8+,9+,10+/m1/s1.
What are the key properties of (1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol?
(1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol is sourced from PubChem (CID 130835060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).