tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate

C13H24N2O2 — CID 91033663

IUPACtert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC2(CCNN2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)10-4-6-13(7-5-10)8-9-14-15-13/h10,14-15H,4-9H2,1-3H3
InChIKeyRSNSEJRITJYFGA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.75
Rot. Bonds1

About tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 91033663) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate
PubChem CID91033663
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC2(CCNN2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)10-4-6-13(7-5-10)8-9-14-15-13/h10,14-15H,4-9H2,1-3H3
InChIKeyRSNSEJRITJYFGA-UHFFFAOYSA-N
XLogP1.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate
CID 170924654
tert-butyl thiane-4-carboxylate
CID 118666343
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
1,2-diazaspiro[5.5]undecane-9-carboxylic acid
CID 118064037

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate (CID 91033663) is tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)C1CCC2(CCNN2)CC1.
What is the InChIKey of tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is RSNSEJRITJYFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)10-4-6-13(7-5-10)8-9-14-15-13/h10,14-15H,4-9H2,1-3H3.
What are the key properties of tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 91033663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).