methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate

C13H22N2O2 — CID 83986224

IUPACmethyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate
SMILESCOC(=O)C1CCN(C)C2C3CCN(CC3)C12
InChIInChI=1S/C13H22N2O2/c1-14-6-5-10(13(16)17-2)12-11(14)9-3-7-15(12)8-4-9/h9-12H,3-8H2,1-2H3
InChIKeySRTRSLKTZIWQMU-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.57
Rot. Bonds1

About methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate

methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate (PubChem CID 83986224) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate
PubChem CID83986224
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namemethyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate
SMILESCOC(=O)C1CCN(C)C2C3CCN(CC3)C12
InChIInChI=1S/C13H22N2O2/c1-14-6-5-10(13(16)17-2)12-11(14)9-3-7-15(12)8-4-9/h9-12H,3-8H2,1-2H3
InChIKeySRTRSLKTZIWQMU-UHFFFAOYSA-N
XLogP0.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate with MolForge

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Related Compounds

methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 130875347
methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate
CID 10846261
methyl 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
CID 145006373
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
1-azabicyclo[2.2.2]octane;methyl 1-azabicyclo[2.2.2]octane-3-carboxylate;hydrochloride
CID 172821222
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate
CID 105467059
methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate
CID 130605326

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate?
The IUPAC name of methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate (CID 83986224) is methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate?
The canonical SMILES for methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate is COC(=O)C1CCN(C)C2C3CCN(CC3)C12.
What is the InChIKey of methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate?
The InChIKey is SRTRSLKTZIWQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-6-5-10(13(16)17-2)12-11(14)9-3-7-15(12)8-4-9/h9-12H,3-8H2,1-2H3.
What are the key properties of methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate?
methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate is sourced from PubChem (CID 83986224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).