tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate

C12H22N2O2 — CID 71741473

IUPACtert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC12CCN2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-5-4-6-12(14)7-8-13-12/h13H,4-9H2,1-3H3
InChIKeyPGKDFZLYWMMJMC-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.10
Rot. Bonds

About tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate

tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate (PubChem CID 71741473) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate
PubChem CID71741473
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC12CCN2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-5-4-6-12(14)7-8-13-12/h13H,4-9H2,1-3H3
InChIKeyPGKDFZLYWMMJMC-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
bis(tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate);oxalic acid
CID 91800935
tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 175733208
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate
CID 27281685
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
tert-butyl 2-ethenyl-2-methylpiperidine-1-carboxylate
CID 166068808
tert-butyl (2R)-2-(hydroxymethyl)-2-methylazepane-1-carboxylate
CID 129462520
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-ynylpiperidine-2-carboxylic acid
CID 164629562

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate?
The IUPAC name of tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate (CID 71741473) is tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate.
What is the SMILES notation for tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate?
The canonical SMILES for tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate is CC(C)(C)OC(=O)N1CCCCC12CCN2.
What is the InChIKey of tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate?
The InChIKey is PGKDFZLYWMMJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-5-4-6-12(14)7-8-13-12/h13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate?
tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate is sourced from PubChem (CID 71741473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).