1,4-diazonane

C7H16N2 — CID 12860766

IUPAC1,4-diazonane
SMILESC1CCNCCNCC1
InChIInChI=1S/C7H16N2/c1-2-4-8-6-7-9-5-3-1/h8-9H,1-7H2
InChIKeyIMPHZTQBNGCVCV-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.35
Rot. Bonds

About 1,4-diazonane

1,4-diazonane (PubChem CID 12860766) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1,4-diazonane.

Molecular Properties

Compound Name1,4-diazonane
PubChem CID12860766
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1,4-diazonane
SMILESC1CCNCCNCC1
InChIInChI=1S/C7H16N2/c1-2-4-8-6-7-9-5-3-1/h8-9H,1-7H2
InChIKeyIMPHZTQBNGCVCV-UHFFFAOYSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazonane?
The IUPAC name of 1,4-diazonane (CID 12860766) is 1,4-diazonane.
What is the SMILES notation for 1,4-diazonane?
The canonical SMILES for 1,4-diazonane is C1CCNCCNCC1.
What is the InChIKey of 1,4-diazonane?
The InChIKey is IMPHZTQBNGCVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-2-4-8-6-7-9-5-3-1/h8-9H,1-7H2.
What are the key properties of 1,4-diazonane?
1,4-diazonane has a molecular weight of 128.22 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazonane is sourced from PubChem (CID 12860766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).