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

C14H26N2O2 — CID 25212673

IUPACtert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC12CCNCC2
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-11-5-4-6-14(16)7-9-15-10-8-14/h15H,4-11H2,1-3H3
InChIKeyHIKNQHIQQLZTQF-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.53
Rot. Bonds

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

tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate (PubChem CID 25212673) 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-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate
PubChem CID25212673
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC12CCNCC2
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-11-5-4-6-14(16)7-9-15-10-8-14/h15H,4-11H2,1-3H3
InChIKeyHIKNQHIQQLZTQF-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 4-amino-4-methylpiperidine-1-carboxylate
CID 11310432
Tert-butyl (1R,5S)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 75487613
tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 15296367
1,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate
CID 19691370
Tert-butyl 4-amino-(1,4'-bipiperidine)-1'-carboxylate
CID 53415311
tert-butyl N-methyl-N-[(piperidin-3-yl)methyl]carbamate
CID 23004744
tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate
CID 1514256
Tert-butyl 2-(2-aminoethyl)piperidine-1-carboxylate
CID 2756421
Tert-butyl 3-(2-aminoethyl)piperidine-1-carboxylate
CID 5001227
4,4'-Bipiperidine, 1-boc protected
CID 11747599
Tert-butyl 8-amino-5-azaspiro(3.5)nonane-5-carboxylate
CID 16228675
Tert-butyl 4-amino-1-azaspiro(5.5)undecane-1-carboxylate
CID 16228713

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate?
The IUPAC name of tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate (CID 25212673) is tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate.
What is the SMILES notation for tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate?
The canonical SMILES for tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC12CCNCC2.
What is the InChIKey of tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate?
The InChIKey is HIKNQHIQQLZTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-11-5-4-6-14(16)7-9-15-10-8-14/h15H,4-11H2,1-3H3.
What are the key properties of tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate?
tert-butyl 1,9-diazaspiro[5.5]undecane-1-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 1,9-diazaspiro[5.5]undecane-1-carboxylate is sourced from PubChem (CID 25212673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).