1-cyclododecyl-2-diazocyclododecane

C24H44N2 — CID 19989269

IUPAC1-cyclododecyl-2-diazocyclododecane
SMILES[N-]=[N+]=C1CCCCCCCCCCC1C1CCCCCCCCCCC1
InChIInChI=1S/C24H44N2/c25-26-24-21-17-13-9-5-4-8-12-16-20-23(24)22-18-14-10-6-2-1-3-7-11-15-19-22/h22-23H,1-21H2
InChIKeyKGHGJVIELIMVID-UHFFFAOYSA-N
MW360.63 g/mol
LogP8.11
Rot. Bonds1

About 1-cyclododecyl-2-diazocyclododecane

1-cyclododecyl-2-diazocyclododecane (PubChem CID 19989269) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 1-cyclododecyl-2-diazocyclododecane.

Molecular Properties

Compound Name1-cyclododecyl-2-diazocyclododecane
PubChem CID19989269
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name1-cyclododecyl-2-diazocyclododecane
SMILES[N-]=[N+]=C1CCCCCCCCCCC1C1CCCCCCCCCCC1
InChIInChI=1S/C24H44N2/c25-26-24-21-17-13-9-5-4-8-12-16-20-23(24)22-18-14-10-6-2-1-3-7-11-15-19-22/h22-23H,1-21H2
InChIKeyKGHGJVIELIMVID-UHFFFAOYSA-N
XLogP8.11
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 58.11
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-cyclododecyl-2-diazocyclododecane?
The IUPAC name of 1-cyclododecyl-2-diazocyclododecane (CID 19989269) is 1-cyclododecyl-2-diazocyclododecane.
What is the SMILES notation for 1-cyclododecyl-2-diazocyclododecane?
The canonical SMILES for 1-cyclododecyl-2-diazocyclododecane is [N-]=[N+]=C1CCCCCCCCCCC1C1CCCCCCCCCCC1.
What is the InChIKey of 1-cyclododecyl-2-diazocyclododecane?
The InChIKey is KGHGJVIELIMVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2/c25-26-24-21-17-13-9-5-4-8-12-16-20-23(24)22-18-14-10-6-2-1-3-7-11-15-19-22/h22-23H,1-21H2.
What are the key properties of 1-cyclododecyl-2-diazocyclododecane?
1-cyclododecyl-2-diazocyclododecane has a molecular weight of 360.63 g/mol, XLogP of 8.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-2-diazocyclododecane is sourced from PubChem (CID 19989269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).