8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine

C9H14N2 — CID 166894802

IUPAC8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine
SMILESCCC1=CCC/C(C)=N\C=N/1
InChIInChI=1S/C9H14N2/c1-3-9-6-4-5-8(2)10-7-11-9/h6-7H,3-5H2,1-2H3/b9-6?,10-8-,11-7-
InChIKeyVJZAFOMDLRJTJN-BHIKVUFYSA-N
MW150.22 g/mol
LogP2.56
Rot. Bonds1

About 8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine

8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine (PubChem CID 166894802) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine.

Molecular Properties

Compound Name8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine
PubChem CID166894802
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine
SMILESCCC1=CCC/C(C)=N\C=N/1
InChIInChI=1S/C9H14N2/c1-3-9-6-4-5-8(2)10-7-11-9/h6-7H,3-5H2,1-2H3/b9-6?,10-8-,11-7-
InChIKeyVJZAFOMDLRJTJN-BHIKVUFYSA-N
XLogP2.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine?
The IUPAC name of 8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine (CID 166894802) is 8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine.
What is the SMILES notation for 8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine?
The canonical SMILES for 8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine is CCC1=CCC/C(C)=N\C=N/1.
What is the InChIKey of 8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine?
The InChIKey is VJZAFOMDLRJTJN-BHIKVUFYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-9-6-4-5-8(2)10-7-11-9/h6-7H,3-5H2,1-2H3/b9-6?,10-8-,11-7-.
What are the key properties of 8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine?
8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine has a molecular weight of 150.22 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine is sourced from PubChem (CID 166894802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).