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

C14H28N2O2 — CID 168901437

IUPACtert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC2(CCNCC2)C1
InChIInChI=1S/C12H22N2O2.C2H6/c1-11(2,3)16-10(15)14-8-12(9-14)4-6-13-7-5-12;1-2/h13H,4-9H2,1-3H3;1-2H3
InChIKeyNCQLEPJYHHDZPH-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds

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

tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane (PubChem CID 168901437) 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-2-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
PubChem CID168901437
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC2(CCNCC2)C1
InChIInChI=1S/C12H22N2O2.C2H6/c1-11(2,3)16-10(15)14-8-12(9-14)4-6-13-7-5-12;1-2/h13H,4-9H2,1-3H3;1-2H3
InChIKeyNCQLEPJYHHDZPH-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

bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 50902214
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 144515725
CID 176582761
CID 176582761
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 7-(bromomethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218590
tert-butyl 1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 71305513
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane?
The IUPAC name of tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane (CID 168901437) is tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane.
What is the SMILES notation for tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane?
The canonical SMILES for tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CC2(CCNCC2)C1.
What is the InChIKey of tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane?
The InChIKey is NCQLEPJYHHDZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.C2H6/c1-11(2,3)16-10(15)14-8-12(9-14)4-6-13-7-5-12;1-2/h13H,4-9H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane?
tert-butyl 2,7-diazaspiro[3.5]nonane-2-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-2-carboxylate;ethane is sourced from PubChem (CID 168901437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).