tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate

C13H24N2O2 — CID 25212666

IUPACtert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCN2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(7-10-15)5-4-8-14-13/h14H,4-10H2,1-3H3
InChIKeyUZPDXRXHTUSGLN-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds

About tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 25212666) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID25212666
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCN2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(7-10-15)5-4-8-14-13/h14H,4-10H2,1-3H3
InChIKeyUZPDXRXHTUSGLN-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
CID 82623314
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
CID 42614152
tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379511
tert-butyl 1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130490562
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride
CID 115053505
tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol
CID 161037215
tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 115048250
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 4-isocyano-4-methylsulfanylpiperidine-1-carboxylate
CID 158931018

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate (CID 25212666) is tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1.
What is the InChIKey of tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is UZPDXRXHTUSGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(7-10-15)5-4-8-14-13/h14H,4-10H2,1-3H3.
What are the key properties of tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 25212666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).