Tert-butyl 6,9-diazaspiro[4.5]decane-9-carboxylate
CAS No. | 886766-37-6 |
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MDL No. | MFCD08685935 |
MF | C13H24N2O2 |
MW | 240.34 |
InChI Key | AOFNMALRBXRCMJ-UHFFFAOYSA-N |
CAS No. | 886766-37-6 |
---|---|
MDL No. | MFCD08685935 |
MF | C13H24N2O2 |
MW | 240.34 |
InChI Key | AOFNMALRBXRCMJ-UHFFFAOYSA-N |
Canonical SMILES | CC(C)(C)OC(=O)N1CCNC2(C1)CCCC2 |
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Isomeric SMILES | CC(C)(C)OC(=O)N1CCNC2(C1)CCCC2 |
IUPAC Name | tert-butyl 6,9-diazaspiro[4.5]decane-9-carboxylate |
InChI | InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-8-14-13(10-15)6-4-5-7-13/h14H,4-10H2,1-3H3 |
InChI Key | AOFNMALRBXRCMJ-UHFFFAOYSA-N |
Heavy Atom Count | 17 | Rotatable Bond Count | 0 |
Atom Stereo Count | 0 | Bond Stereo Count | 0 |
HBA | 3 | HBD | 1 |
TPSA | 41.570 Ų | Charge | 0 |
Exact Mass | 240.18378 | Complexity | 290.28 |
pKa | 5.875 | XLogP | 2.139 |