tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate

C14H26N2O2 — CID 82623314

IUPACtert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCCCN2)C1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-8-14(11-16)7-5-4-6-9-15-14/h15H,4-11H2,1-3H3
InChIKeyBJBBDJHANLWCAT-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.53
Rot. Bonds

About tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate

tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate (PubChem CID 82623314) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
PubChem CID82623314
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCCCN2)C1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-8-14(11-16)7-5-4-6-9-15-14/h15H,4-11H2,1-3H3
InChIKeyBJBBDJHANLWCAT-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
CID 42614152
tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
CID 25212666
tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 115048250
tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379511
tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate
CID 124710760
tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride
CID 115053003
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
9-O-benzyl 2-O-tert-butyl (5R)-2,6,9-triazaspiro[4.5]decane-2,9-dicarboxylate
CID 97111040
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-2-carboxylic acid
CID 118856116
tert-butyl 3,3-difluoro-1,5-diazonane-1-carboxylate
CID 138987888
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate?
The IUPAC name of tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate (CID 82623314) is tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate.
What is the SMILES notation for tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate?
The canonical SMILES for tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCCCCN2)C1.
What is the InChIKey of tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate?
The InChIKey is BJBBDJHANLWCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-8-14(11-16)7-5-4-6-9-15-14/h15H,4-11H2,1-3H3.
What are the key properties of tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate?
tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate is sourced from PubChem (CID 82623314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).