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

C14H28N2O2 — CID 176939891

IUPACtert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC2(CC1)CNC2
InChIInChI=1S/C12H22N2O2.C2H6/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;1-2/h13H,4-9H2,1-3H3;1-2H3
InChIKeyDNICTFQOPXZYPG-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds

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

tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane (PubChem CID 176939891) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
PubChem CID176939891
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC2(CC1)CNC2
InChIInChI=1S/C12H22N2O2.C2H6/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;1-2/h13H,4-9H2,1-3H3;1-2H3
InChIKeyDNICTFQOPXZYPG-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid
CID 53484576
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 50902214
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365
tert-butyl 2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonane-7-carboxylate
CID 146310147
tert-butyl 9-(1-fluorocyclopropanecarbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 171832484
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
tert-butyl 9-bromo-3-azaspiro[5.5]undecane-3-carboxylate
CID 156503670
tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 131391492

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane?
The IUPAC name of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane (CID 176939891) is tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane.
What is the SMILES notation for tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane?
The canonical SMILES for tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCC2(CC1)CNC2.
What is the InChIKey of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane?
The InChIKey is DNICTFQOPXZYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.C2H6/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;1-2/h13H,4-9H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane?
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane has a molecular weight of 256.39 g/mol, XLogP of 2.63, 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;ethane is sourced from PubChem (CID 176939891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).