1-cyclononyl-2-diazocyclononane

C18H32N2 — CID 19614017

IUPAC1-cyclononyl-2-diazocyclononane
SMILES[N-]=[N+]=C1CCCCCCCC1C1CCCCCCCC1
InChIInChI=1S/C18H32N2/c19-20-18-15-11-7-3-6-10-14-17(18)16-12-8-4-1-2-5-9-13-16/h16-17H,1-15H2
InChIKeyYBNZVBUWVIIJND-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.77
Rot. Bonds1

About 1-cyclononyl-2-diazocyclononane

1-cyclononyl-2-diazocyclononane (PubChem CID 19614017) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-cyclononyl-2-diazocyclononane.

Molecular Properties

Compound Name1-cyclononyl-2-diazocyclononane
PubChem CID19614017
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-cyclononyl-2-diazocyclononane
SMILES[N-]=[N+]=C1CCCCCCCC1C1CCCCCCCC1
InChIInChI=1S/C18H32N2/c19-20-18-15-11-7-3-6-10-14-17(18)16-12-8-4-1-2-5-9-13-16/h16-17H,1-15H2
InChIKeyYBNZVBUWVIIJND-UHFFFAOYSA-N
XLogP5.77
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclononyl-2-diazocyclononane?
The IUPAC name of 1-cyclononyl-2-diazocyclononane (CID 19614017) is 1-cyclononyl-2-diazocyclononane.
What is the SMILES notation for 1-cyclononyl-2-diazocyclononane?
The canonical SMILES for 1-cyclononyl-2-diazocyclononane is [N-]=[N+]=C1CCCCCCCC1C1CCCCCCCC1.
What is the InChIKey of 1-cyclononyl-2-diazocyclononane?
The InChIKey is YBNZVBUWVIIJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c19-20-18-15-11-7-3-6-10-14-17(18)16-12-8-4-1-2-5-9-13-16/h16-17H,1-15H2.
What are the key properties of 1-cyclononyl-2-diazocyclononane?
1-cyclononyl-2-diazocyclononane has a molecular weight of 276.47 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclononyl-2-diazocyclononane is sourced from PubChem (CID 19614017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).