tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

C14H26N2O2 — CID 15296367

IUPACtert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14/h15H,4-11H2,1-3H3
InChIKeyYLKHACHFJMCIRE-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.39
Rot. Bonds

About tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 15296367) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID15296367
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14/h15H,4-11H2,1-3H3
InChIKeyYLKHACHFJMCIRE-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 15296367) is tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1.
What is the InChIKey of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is YLKHACHFJMCIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14/h15H,4-11H2,1-3H3.
What are the key properties of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 15296367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).