methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

C12H22N2O2 — CID 3234397

IUPACmethyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(C)C2)CC1
InChIInChI=1S/C12H22N2O2/c1-13-7-3-4-12(10-13)5-8-14(9-6-12)11(15)16-2/h3-10H2,1-2H3
InChIKeyVXTZQYTUWPIZEW-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.56
Rot. Bonds

About methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3234397) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3234397
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(C)C2)CC1
InChIInChI=1S/C12H22N2O2/c1-13-7-3-4-12(10-13)5-8-14(9-6-12)11(15)16-2/h3-10H2,1-2H3
InChIKeyVXTZQYTUWPIZEW-UHFFFAOYSA-N
XLogP1.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3234397) is methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is COC(=O)N1CCC2(CCCN(C)C2)CC1.
What is the InChIKey of methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is VXTZQYTUWPIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-7-3-4-12(10-13)5-8-14(9-6-12)11(15)16-2/h3-10H2,1-2H3.
What are the key properties of methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3234397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).