1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine

C8H16N2 — CID 166904539

IUPAC1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine
SMILESC/C1=N/CCCCCN1C
InChIInChI=1S/C8H16N2/c1-8-9-6-4-3-5-7-10(8)2/h3-7H2,1-2H3/b9-8-
InChIKeyZDIXGPTXNLZQMC-HJWRWDBZSA-N
MW140.23 g/mol
LogP1.52
Rot. Bonds

About 1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine

1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine (PubChem CID 166904539) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine.

Molecular Properties

Compound Name1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine
PubChem CID166904539
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine
SMILESC/C1=N/CCCCCN1C
InChIInChI=1S/C8H16N2/c1-8-9-6-4-3-5-7-10(8)2/h3-7H2,1-2H3/b9-8-
InChIKeyZDIXGPTXNLZQMC-HJWRWDBZSA-N
XLogP1.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-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 1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine?
The IUPAC name of 1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine (CID 166904539) is 1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine.
What is the SMILES notation for 1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine?
The canonical SMILES for 1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine is C/C1=N/CCCCCN1C.
What is the InChIKey of 1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine?
The InChIKey is ZDIXGPTXNLZQMC-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H16N2/c1-8-9-6-4-3-5-7-10(8)2/h3-7H2,1-2H3/b9-8-.
What are the key properties of 1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine?
1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine has a molecular weight of 140.23 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine is sourced from PubChem (CID 166904539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).