(1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol

C12H22N2O — CID 139206448

IUPAC(1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol
SMILESCN1C[C@@H]2CN3CCCC[C@@H]3[C@H](C1)[C@@H]2O
InChIInChI=1S/C12H22N2O/c1-13-6-9-7-14-5-3-2-4-11(14)10(8-13)12(9)15/h9-12,15H,2-8H2,1H3/t9-,10+,11-,12-/m1/s1
InChIKeySSMIYQHBANLNLN-WRWGMCAJSA-N
MW210.32 g/mol
LogP0.39
Rot. Bonds

About (1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol

(1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol (PubChem CID 139206448) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol.

Molecular Properties

Compound Name(1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol
PubChem CID139206448
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol
SMILESCN1C[C@@H]2CN3CCCC[C@@H]3[C@H](C1)[C@@H]2O
InChIInChI=1S/C12H22N2O/c1-13-6-9-7-14-5-3-2-4-11(14)10(8-13)12(9)15/h9-12,15H,2-8H2,1H3/t9-,10+,11-,12-/m1/s1
InChIKeySSMIYQHBANLNLN-WRWGMCAJSA-N
XLogP0.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol with MolForge

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Related Compounds

(1R,2R,9S,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol
CID 15939856
(2S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
CID 59492157
(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
(1S,2R,5S,8S)-2-pyrrolidin-1-ylbicyclo[3.2.1]octan-8-ol
CID 7082197
(1S,2S,3R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
CID 11183076
(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
CID 134844763
(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
CID 169440912
5-[(3aR,9aS,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]pentan-1-ol
CID 129426171
(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
CID 162992981
(1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol
CID 13378917
(1R,2S,9S)-11-methyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane
CID 102576772

Frequently Asked Questions

What is the IUPAC name of (1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol?
The IUPAC name of (1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol (CID 139206448) is (1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol.
What is the SMILES notation for (1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol?
The canonical SMILES for (1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol is CN1C[C@@H]2CN3CCCC[C@@H]3[C@H](C1)[C@@H]2O.
What is the InChIKey of (1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol?
The InChIKey is SSMIYQHBANLNLN-WRWGMCAJSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-6-9-7-14-5-3-2-4-11(14)10(8-13)12(9)15/h9-12,15H,2-8H2,1H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of (1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol?
(1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol has a molecular weight of 210.32 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol is sourced from PubChem (CID 139206448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).