2,8-diazaspiro[5.6]dodec-11-ene

C10H18N2 — CID 23135382

IUPAC2,8-diazaspiro[5.6]dodec-11-ene
SMILESC1=CC2(CCCNC2)CNCC1
InChIInChI=1S/C10H18N2/c1-2-6-11-8-10(4-1)5-3-7-12-9-10/h1,4,11-12H,2-3,5-9H2
InChIKeyLLHKTIYVRWBENY-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.91
Rot. Bonds

About 2,8-diazaspiro[5.6]dodec-11-ene

2,8-diazaspiro[5.6]dodec-11-ene (PubChem CID 23135382) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,8-diazaspiro[5.6]dodec-11-ene.

Molecular Properties

Compound Name2,8-diazaspiro[5.6]dodec-11-ene
PubChem CID23135382
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,8-diazaspiro[5.6]dodec-11-ene
SMILESC1=CC2(CCCNC2)CNCC1
InChIInChI=1S/C10H18N2/c1-2-6-11-8-10(4-1)5-3-7-12-9-10/h1,4,11-12H,2-3,5-9H2
InChIKeyLLHKTIYVRWBENY-UHFFFAOYSA-N
XLogP0.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,8-diazaspiro[5.6]dodec-11-ene 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 2,8-diazaspiro[5.6]dodec-11-ene?
The IUPAC name of 2,8-diazaspiro[5.6]dodec-11-ene (CID 23135382) is 2,8-diazaspiro[5.6]dodec-11-ene.
What is the SMILES notation for 2,8-diazaspiro[5.6]dodec-11-ene?
The canonical SMILES for 2,8-diazaspiro[5.6]dodec-11-ene is C1=CC2(CCCNC2)CNCC1.
What is the InChIKey of 2,8-diazaspiro[5.6]dodec-11-ene?
The InChIKey is LLHKTIYVRWBENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-6-11-8-10(4-1)5-3-7-12-9-10/h1,4,11-12H,2-3,5-9H2.
What are the key properties of 2,8-diazaspiro[5.6]dodec-11-ene?
2,8-diazaspiro[5.6]dodec-11-ene has a molecular weight of 166.27 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.6]dodec-11-ene is sourced from PubChem (CID 23135382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).