(1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane

C12H22N2O — CID 135039515

IUPAC(1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane
SMILES[2H][C@@]12CN(C)CC(C)(CN3CCCC[C@H]31)O2
InChIInChI=1S/C12H22N2O/c1-12-8-13(2)7-11(15-12)10-5-3-4-6-14(10)9-12/h10-11H,3-9H2,1-2H3/t10-,11+,12?/m0/s1/i11D
InChIKeyOHGWQASDNJNQLP-ARZPBYIOSA-N
MW211.33 g/mol
LogP0.94
Rot. Bonds

About (1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane

(1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane (PubChem CID 135039515) has the molecular formula C12H22N2O and a molecular weight of 211.33 g/mol. Its IUPAC name is (1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane.

Molecular Properties

Compound Name(1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane
PubChem CID135039515
Molecular FormulaC12H22N2O
Molecular Weight211.33 g/mol
Exact Mass211.18
IUPAC Name(1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane
SMILES[2H][C@@]12CN(C)CC(C)(CN3CCCC[C@H]31)O2
InChIInChI=1S/C12H22N2O/c1-12-8-13(2)7-11(15-12)10-5-3-4-6-14(10)9-12/h10-11H,3-9H2,1-2H3/t10-,11+,12?/m0/s1/i11D
InChIKeyOHGWQASDNJNQLP-ARZPBYIOSA-N
XLogP0.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane with MolForge

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Related Compounds

(1R,2S)-1,9-dideuterio-11-methyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane
CID 135014817
(1R,2S)-1-deuterio-11-methyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane
CID 135014892
(1R,2S,9S)-11-methyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane
CID 102576772
(2S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
CID 59492157
[(1S,9aR)-spiro[1,3,4,6,7,8,9,9a-octahydroquinolizine-2,2'-1,3-dithiolane]-1-yl]methanol
CID 50940530
(1R,2R,9S,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol
CID 15939856
(1S,2R,9R,13R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-13-ol
CID 139206448
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R)-1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 16637720
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
CID 11963882
(9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine
CID 124876193

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane?
The IUPAC name of (1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane (CID 135039515) is (1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane.
What is the SMILES notation for (1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane?
The canonical SMILES for (1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane is [2H][C@@]12CN(C)CC(C)(CN3CCCC[C@H]31)O2.
What is the InChIKey of (1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane?
The InChIKey is OHGWQASDNJNQLP-ARZPBYIOSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12-8-13(2)7-11(15-12)10-5-3-4-6-14(10)9-12/h10-11H,3-9H2,1-2H3/t10-,11+,12?/m0/s1/i11D.
What are the key properties of (1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane?
(1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane has a molecular weight of 211.33 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-deuterio-9,11-dimethyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane is sourced from PubChem (CID 135039515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).