1,2,3,4,5,6-hexahydrodiazocine

C6H12N2 — CID 66659176

IUPAC1,2,3,4,5,6-hexahydrodiazocine
SMILESC1=CNNCCCC1
InChIInChI=1S/C6H12N2/c1-2-4-6-8-7-5-3-1/h3,5,7-8H,1-2,4,6H2
InChIKeyVBUSXUKJEOMRAR-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.78
Rot. Bonds

About 1,2,3,4,5,6-hexahydrodiazocine

1,2,3,4,5,6-hexahydrodiazocine (PubChem CID 66659176) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexahydrodiazocine.

Molecular Properties

Compound Name1,2,3,4,5,6-hexahydrodiazocine
PubChem CID66659176
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1,2,3,4,5,6-hexahydrodiazocine
SMILESC1=CNNCCCC1
InChIInChI=1S/C6H12N2/c1-2-4-6-8-7-5-3-1/h3,5,7-8H,1-2,4,6H2
InChIKeyVBUSXUKJEOMRAR-UHFFFAOYSA-N
XLogP0.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexahydrodiazocine?
The IUPAC name of 1,2,3,4,5,6-hexahydrodiazocine (CID 66659176) is 1,2,3,4,5,6-hexahydrodiazocine.
What is the SMILES notation for 1,2,3,4,5,6-hexahydrodiazocine?
The canonical SMILES for 1,2,3,4,5,6-hexahydrodiazocine is C1=CNNCCCC1.
What is the InChIKey of 1,2,3,4,5,6-hexahydrodiazocine?
The InChIKey is VBUSXUKJEOMRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-4-6-8-7-5-3-1/h3,5,7-8H,1-2,4,6H2.
What are the key properties of 1,2,3,4,5,6-hexahydrodiazocine?
1,2,3,4,5,6-hexahydrodiazocine has a molecular weight of 112.18 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexahydrodiazocine is sourced from PubChem (CID 66659176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).