3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione

C14H23N3O2 — CID 79500780

IUPAC3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione
SMILESCCC(C)(N)C1=NC(=O)C2(CCCCCC2)C(=O)N1
InChIInChI=1S/C14H23N3O2/c1-3-13(2,15)10-16-11(18)14(12(19)17-10)8-6-4-5-7-9-14/h3-9,15H2,1-2H3,(H,16,17,18,19)
InChIKeyPMANJMWFNPITQN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.51
Rot. Bonds2

About 3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione

3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione (PubChem CID 79500780) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione.

Molecular Properties

Compound Name3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione
PubChem CID79500780
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione
SMILESCCC(C)(N)C1=NC(=O)C2(CCCCCC2)C(=O)N1
InChIInChI=1S/C14H23N3O2/c1-3-13(2,15)10-16-11(18)14(12(19)17-10)8-6-4-5-7-9-14/h3-9,15H2,1-2H3,(H,16,17,18,19)
InChIKeyPMANJMWFNPITQN-UHFFFAOYSA-N
XLogP1.51
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
The IUPAC name of 3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione (CID 79500780) is 3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione.
What is the SMILES notation for 3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
The canonical SMILES for 3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione is CCC(C)(N)C1=NC(=O)C2(CCCCCC2)C(=O)N1.
What is the InChIKey of 3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
The InChIKey is PMANJMWFNPITQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-13(2,15)10-16-11(18)14(12(19)17-10)8-6-4-5-7-9-14/h3-9,15H2,1-2H3,(H,16,17,18,19).
What are the key properties of 3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione has a molecular weight of 265.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutan-2-yl)-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione is sourced from PubChem (CID 79500780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).