tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate

C12H22N2O2 — CID 24820512

IUPACtert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12/h13H,4-9H2,1-3H3
InChIKeyNRADOPGBTAJXKB-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds

About tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 24820512) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID24820512
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12/h13H,4-9H2,1-3H3
InChIKeyNRADOPGBTAJXKB-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 24820512) is tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CNC2.
What is the InChIKey of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is NRADOPGBTAJXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12/h13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 24820512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).