5,9-diazaspiro[3.6]deca-2,5-diene

C8H12N2 — CID 91328736

IUPAC5,9-diazaspiro[3.6]deca-2,5-diene
SMILESC1=CC2(C1)CNCCC=N2
InChIInChI=1S/C8H12N2/c1-3-8(4-1)7-9-5-2-6-10-8/h1,3,6,9H,2,4-5,7H2
InChIKeyLYDOCIUNKPESDR-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.75
Rot. Bonds

About 5,9-diazaspiro[3.6]deca-2,5-diene

5,9-diazaspiro[3.6]deca-2,5-diene (PubChem CID 91328736) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5,9-diazaspiro[3.6]deca-2,5-diene.

Molecular Properties

Compound Name5,9-diazaspiro[3.6]deca-2,5-diene
PubChem CID91328736
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5,9-diazaspiro[3.6]deca-2,5-diene
SMILESC1=CC2(C1)CNCCC=N2
InChIInChI=1S/C8H12N2/c1-3-8(4-1)7-9-5-2-6-10-8/h1,3,6,9H,2,4-5,7H2
InChIKeyLYDOCIUNKPESDR-UHFFFAOYSA-N
XLogP0.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,9-diazaspiro[3.6]deca-2,5-diene with MolForge

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

Launch Full Analysis

Related Compounds

2,3,5a,9a-tetrahydro-1H-1,4-benzodiazepine
CID 90980838
(5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine
CID 142041410

Frequently Asked Questions

What is the IUPAC name of 5,9-diazaspiro[3.6]deca-2,5-diene?
The IUPAC name of 5,9-diazaspiro[3.6]deca-2,5-diene (CID 91328736) is 5,9-diazaspiro[3.6]deca-2,5-diene.
What is the SMILES notation for 5,9-diazaspiro[3.6]deca-2,5-diene?
The canonical SMILES for 5,9-diazaspiro[3.6]deca-2,5-diene is C1=CC2(C1)CNCCC=N2.
What is the InChIKey of 5,9-diazaspiro[3.6]deca-2,5-diene?
The InChIKey is LYDOCIUNKPESDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-8(4-1)7-9-5-2-6-10-8/h1,3,6,9H,2,4-5,7H2.
What are the key properties of 5,9-diazaspiro[3.6]deca-2,5-diene?
5,9-diazaspiro[3.6]deca-2,5-diene has a molecular weight of 136.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diazaspiro[3.6]deca-2,5-diene is sourced from PubChem (CID 91328736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).