tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate

C14H26N2O2 — CID 71307754

IUPACtert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC2(CCNCC2)NC1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)11-4-5-14(16-10-11)6-8-15-9-7-14/h11,15-16H,4-10H2,1-3H3
InChIKeyLBZJQOBUIXWLIZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.45
Rot. Bonds1

About tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate

tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 71307754) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID71307754
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC2(CCNCC2)NC1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)11-4-5-14(16-10-11)6-8-15-9-7-14/h11,15-16H,4-10H2,1-3H3
InChIKeyLBZJQOBUIXWLIZ-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 58436688
tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate
CID 91033663
tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate
CID 155229416
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl spiro[2.4]heptane-6-carboxylate
CID 141217808
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 69457377
tert-butyl (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 138393835
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
4-O-tert-butyl 1-O-methyl 1-hydroxycyclohexane-1,4-dicarboxylate
CID 146665710
tert-butyl cyclododecanecarboxylate
CID 154013086

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate (CID 71307754) is tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate is CC(C)(C)OC(=O)C1CCC2(CCNCC2)NC1.
What is the InChIKey of tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is LBZJQOBUIXWLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)11-4-5-14(16-10-11)6-8-15-9-7-14/h11,15-16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate?
tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 71307754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).