tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate

C15H26N2O2 — CID 90426746

IUPACtert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(C3CC3)C2)C1
InChIInChI=1S/C15H26N2O2/c1-14(2,3)19-13(18)17-9-7-15(11-17)6-8-16(10-15)12-4-5-12/h12H,4-11H2,1-3H3
InChIKeyGVEGFHVRLRONDJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.48
Rot. Bonds1

About tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate

tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate (PubChem CID 90426746) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
PubChem CID90426746
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(C3CC3)C2)C1
InChIInChI=1S/C15H26N2O2/c1-14(2,3)19-13(18)17-9-7-15(11-17)6-8-16(10-15)12-4-5-12/h12H,4-11H2,1-3H3
InChIKeyGVEGFHVRLRONDJ-UHFFFAOYSA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 68969463
tert-butyl 7-(4-ethynylcyclohexyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 155218899
tert-butyl 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 140810799
tert-butyl 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 66850495
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 7-(cyclohexanecarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 163728766
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
tert-butyl 7-[4-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;ethane
CID 156857417
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate (CID 90426746) is tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCN(C3CC3)C2)C1.
What is the InChIKey of tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The InChIKey is GVEGFHVRLRONDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-14(2,3)19-13(18)17-9-7-15(11-17)6-8-16(10-15)12-4-5-12/h12H,4-11H2,1-3H3.
What are the key properties of tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate?
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 90426746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).