4,5,6,7-tetrahydrodiazocine

C6H10N2 — CID 91529260

IUPAC4,5,6,7-tetrahydrodiazocine
SMILESC1=NN=CCCCC1
InChIInChI=1S/C6H10N2/c1-2-4-6-8-7-5-3-1/h5-6H,1-4H2
InChIKeyKRZOOAMNGHPLHH-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.62
Rot. Bonds

About 4,5,6,7-tetrahydrodiazocine

4,5,6,7-tetrahydrodiazocine (PubChem CID 91529260) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrodiazocine.

Molecular Properties

Compound Name4,5,6,7-tetrahydrodiazocine
PubChem CID91529260
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name4,5,6,7-tetrahydrodiazocine
SMILESC1=NN=CCCCC1
InChIInChI=1S/C6H10N2/c1-2-4-6-8-7-5-3-1/h5-6H,1-4H2
InChIKeyKRZOOAMNGHPLHH-UHFFFAOYSA-N
XLogP1.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3,4,5,6-tetrahydroazocine
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(1E,7E)-cyclododeca-1,7-diene
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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrodiazocine?
The IUPAC name of 4,5,6,7-tetrahydrodiazocine (CID 91529260) is 4,5,6,7-tetrahydrodiazocine.
What is the SMILES notation for 4,5,6,7-tetrahydrodiazocine?
The canonical SMILES for 4,5,6,7-tetrahydrodiazocine is C1=NN=CCCCC1.
What is the InChIKey of 4,5,6,7-tetrahydrodiazocine?
The InChIKey is KRZOOAMNGHPLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-4-6-8-7-5-3-1/h5-6H,1-4H2.
What are the key properties of 4,5,6,7-tetrahydrodiazocine?
4,5,6,7-tetrahydrodiazocine has a molecular weight of 110.16 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrodiazocine is sourced from PubChem (CID 91529260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).