2,7-dimethyl-4,5-dihydro-1,3-diazocine

C8H12N2 — CID 147763095

IUPAC2,7-dimethyl-4,5-dihydro-1,3-diazocine
SMILESCC1=CCC/N=C(C)\N=C/1
InChIInChI=1S/C8H12N2/c1-7-4-3-5-9-8(2)10-6-7/h4,6H,3,5H2,1-2H3/b7-4?,9-8-,10-6-
InChIKeyHELRKMGZLAOIPQ-MCABROOJSA-N
MW136.20 g/mol
LogP1.83
Rot. Bonds

About 2,7-dimethyl-4,5-dihydro-1,3-diazocine

2,7-dimethyl-4,5-dihydro-1,3-diazocine (PubChem CID 147763095) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,7-dimethyl-4,5-dihydro-1,3-diazocine.

Molecular Properties

Compound Name2,7-dimethyl-4,5-dihydro-1,3-diazocine
PubChem CID147763095
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,7-dimethyl-4,5-dihydro-1,3-diazocine
SMILESCC1=CCC/N=C(C)\N=C/1
InChIInChI=1S/C8H12N2/c1-7-4-3-5-9-8(2)10-6-7/h4,6H,3,5H2,1-2H3/b7-4?,9-8-,10-6-
InChIKeyHELRKMGZLAOIPQ-MCABROOJSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4,5-dihydro-1,3-diazocine?
The IUPAC name of 2,7-dimethyl-4,5-dihydro-1,3-diazocine (CID 147763095) is 2,7-dimethyl-4,5-dihydro-1,3-diazocine.
What is the SMILES notation for 2,7-dimethyl-4,5-dihydro-1,3-diazocine?
The canonical SMILES for 2,7-dimethyl-4,5-dihydro-1,3-diazocine is CC1=CCC/N=C(C)\N=C/1.
What is the InChIKey of 2,7-dimethyl-4,5-dihydro-1,3-diazocine?
The InChIKey is HELRKMGZLAOIPQ-MCABROOJSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-4-3-5-9-8(2)10-6-7/h4,6H,3,5H2,1-2H3/b7-4?,9-8-,10-6-.
What are the key properties of 2,7-dimethyl-4,5-dihydro-1,3-diazocine?
2,7-dimethyl-4,5-dihydro-1,3-diazocine has a molecular weight of 136.20 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4,5-dihydro-1,3-diazocine is sourced from PubChem (CID 147763095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).