3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione

C14H23N3O2 — CID 79500949

IUPAC3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione
SMILESCC(C)NCC1=NC(=O)C2(CCCCCC2)C(=O)N1
InChIInChI=1S/C14H23N3O2/c1-10(2)15-9-11-16-12(18)14(13(19)17-11)7-5-3-4-6-8-14/h10,15H,3-9H2,1-2H3,(H,16,17,18,19)
InChIKeyZSAXCVRKWIZSBI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.38
Rot. Bonds3

About 3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione

3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione (PubChem CID 79500949) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione
PubChem CID79500949
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione
SMILESCC(C)NCC1=NC(=O)C2(CCCCCC2)C(=O)N1
InChIInChI=1S/C14H23N3O2/c1-10(2)15-9-11-16-12(18)14(13(19)17-11)7-5-3-4-6-8-14/h10,15H,3-9H2,1-2H3,(H,16,17,18,19)
InChIKeyZSAXCVRKWIZSBI-UHFFFAOYSA-N
XLogP1.38
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
The IUPAC name of 3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione (CID 79500949) is 3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione is CC(C)NCC1=NC(=O)C2(CCCCCC2)C(=O)N1.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
The InChIKey is ZSAXCVRKWIZSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)15-9-11-16-12(18)14(13(19)17-11)7-5-3-4-6-8-14/h10,15H,3-9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione has a molecular weight of 265.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione is sourced from PubChem (CID 79500949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).