(1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol

C12H21NO — CID 131019218

IUPAC(1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol
SMILESOC1C[C@H]2CCCC3CCC[C@@H](C1)N32
InChIInChI=1S/C12H21NO/c14-12-7-10-5-1-3-9-4-2-6-11(8-12)13(9)10/h9-12,14H,1-8H2/t9?,10-,11+,12?
InChIKeyKCSDELLLKGAWFT-WSVSKBAQSA-N
MW195.31 g/mol
LogP1.92
Rot. Bonds

About (1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol

(1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol (PubChem CID 131019218) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol.

Molecular Properties

Compound Name(1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol
PubChem CID131019218
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol
SMILESOC1C[C@H]2CCCC3CCC[C@@H](C1)N32
InChIInChI=1S/C12H21NO/c14-12-7-10-5-1-3-9-4-2-6-11(8-12)13(9)10/h9-12,14H,1-8H2/t9?,10-,11+,12?
InChIKeyKCSDELLLKGAWFT-WSVSKBAQSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113652
5-cyclobutyl-5-azabicyclo[2.1.1]hexane
CID 23151373
9-cyclobutyl-9-azabicyclo[3.3.1]nonane
CID 23151237
8-cyclobutyl-8-azabicyclo[3.2.1]octane
CID 23151234
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)cyclohexan-1-one
CID 114762226
8-cyclobutyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740544
(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 98112266
(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069992
(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069991
8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233266
cyclobutanol;cyclopropanol
CID 175019048
3-(3,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
CID 79619224

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol?
The IUPAC name of (1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol (CID 131019218) is (1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol.
What is the SMILES notation for (1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol?
The canonical SMILES for (1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol is OC1C[C@H]2CCCC3CCC[C@@H](C1)N32.
What is the InChIKey of (1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol?
The InChIKey is KCSDELLLKGAWFT-WSVSKBAQSA-N. The full InChI is InChI=1S/C12H21NO/c14-12-7-10-5-1-3-9-4-2-6-11(8-12)13(9)10/h9-12,14H,1-8H2/t9?,10-,11+,12?.
What are the key properties of (1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol?
(1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol is sourced from PubChem (CID 131019218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).