(7Z)-6,6-dimethyl-3H-diazocine

C8H12N2 — CID 144544150

IUPAC(7Z)-6,6-dimethyl-3H-diazocine
SMILESCC1(C)C=CC/N=N\C=C/1
InChIInChI=1S/C8H12N2/c1-8(2)4-3-6-9-10-7-5-8/h3-5,7H,6H2,1-2H3/b4-3?,7-5-,10-9-
InChIKeyXWJBMLHMMOVNHE-UKEYZGQMSA-N
MW136.20 g/mol
LogP2.55
Rot. Bonds

About (7Z)-6,6-dimethyl-3H-diazocine

(7Z)-6,6-dimethyl-3H-diazocine (PubChem CID 144544150) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (7Z)-6,6-dimethyl-3H-diazocine.

Molecular Properties

Compound Name(7Z)-6,6-dimethyl-3H-diazocine
PubChem CID144544150
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(7Z)-6,6-dimethyl-3H-diazocine
SMILESCC1(C)C=CC/N=N\C=C/1
InChIInChI=1S/C8H12N2/c1-8(2)4-3-6-9-10-7-5-8/h3-5,7H,6H2,1-2H3/b4-3?,7-5-,10-9-
InChIKeyXWJBMLHMMOVNHE-UKEYZGQMSA-N
XLogP2.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7Z)-6,6-dimethyl-3H-diazocine 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 (7Z)-6,6-dimethyl-3H-diazocine?
The IUPAC name of (7Z)-6,6-dimethyl-3H-diazocine (CID 144544150) is (7Z)-6,6-dimethyl-3H-diazocine.
What is the SMILES notation for (7Z)-6,6-dimethyl-3H-diazocine?
The canonical SMILES for (7Z)-6,6-dimethyl-3H-diazocine is CC1(C)C=CC/N=N\C=C/1.
What is the InChIKey of (7Z)-6,6-dimethyl-3H-diazocine?
The InChIKey is XWJBMLHMMOVNHE-UKEYZGQMSA-N. The full InChI is InChI=1S/C8H12N2/c1-8(2)4-3-6-9-10-7-5-8/h3-5,7H,6H2,1-2H3/b4-3?,7-5-,10-9-.
What are the key properties of (7Z)-6,6-dimethyl-3H-diazocine?
(7Z)-6,6-dimethyl-3H-diazocine has a molecular weight of 136.20 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-6,6-dimethyl-3H-diazocine is sourced from PubChem (CID 144544150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).