1-cycloundecyl-2-diazocycloundecane

C22H40N2 — CID 22171225

IUPAC1-cycloundecyl-2-diazocycloundecane
SMILES[N-]=[N+]=C1CCCCCCCCCC1C1CCCCCCCCCC1
InChIInChI=1S/C22H40N2/c23-24-22-19-15-11-7-3-6-10-14-18-21(22)20-16-12-8-4-1-2-5-9-13-17-20/h20-21H,1-19H2
InChIKeyPGLASKORVDVZEZ-UHFFFAOYSA-N
MW332.58 g/mol
LogP7.33
Rot. Bonds1

About 1-cycloundecyl-2-diazocycloundecane

1-cycloundecyl-2-diazocycloundecane (PubChem CID 22171225) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 1-cycloundecyl-2-diazocycloundecane.

Molecular Properties

Compound Name1-cycloundecyl-2-diazocycloundecane
PubChem CID22171225
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name1-cycloundecyl-2-diazocycloundecane
SMILES[N-]=[N+]=C1CCCCCCCCCC1C1CCCCCCCCCC1
InChIInChI=1S/C22H40N2/c23-24-22-19-15-11-7-3-6-10-14-18-21(22)20-16-12-8-4-1-2-5-9-13-17-20/h20-21H,1-19H2
InChIKeyPGLASKORVDVZEZ-UHFFFAOYSA-N
XLogP7.33
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 57.33
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-cycloundecyl-2-diazocycloundecane?
The IUPAC name of 1-cycloundecyl-2-diazocycloundecane (CID 22171225) is 1-cycloundecyl-2-diazocycloundecane.
What is the SMILES notation for 1-cycloundecyl-2-diazocycloundecane?
The canonical SMILES for 1-cycloundecyl-2-diazocycloundecane is [N-]=[N+]=C1CCCCCCCCCC1C1CCCCCCCCCC1.
What is the InChIKey of 1-cycloundecyl-2-diazocycloundecane?
The InChIKey is PGLASKORVDVZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c23-24-22-19-15-11-7-3-6-10-14-18-21(22)20-16-12-8-4-1-2-5-9-13-17-20/h20-21H,1-19H2.
What are the key properties of 1-cycloundecyl-2-diazocycloundecane?
1-cycloundecyl-2-diazocycloundecane has a molecular weight of 332.58 g/mol, XLogP of 7.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloundecyl-2-diazocycloundecane is sourced from PubChem (CID 22171225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).