methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

C15H28N2O2 — CID 3234045

IUPACmethyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)12-16-8-4-15(5-9-16)6-10-17(11-7-15)14(18)19-3/h13H,4-12H2,1-3H3
InChIKeyKDBJBMMULIODMN-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.59
Rot. Bonds2

About methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 3234045) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID3234045
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)12-16-8-4-15(5-9-16)6-10-17(11-7-15)14(18)19-3/h13H,4-12H2,1-3H3
InChIKeyKDBJBMMULIODMN-UHFFFAOYSA-N
XLogP2.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 3234045) is methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is COC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1.
What is the InChIKey of methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is KDBJBMMULIODMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2)12-16-8-4-15(5-9-16)6-10-17(11-7-15)14(18)19-3/h13H,4-12H2,1-3H3.
What are the key properties of methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 3234045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).