bis(2-ethyl-2-adamantyl)diazene

C24H38N2 — CID 134984598

IUPACbis(2-ethyl-2-adamantyl)diazene
SMILESCCC1(/N=N/C2(CC)C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H38N2/c1-3-23(19-7-15-5-16(9-19)10-20(23)8-15)25-26-24(4-2)21-11-17-6-18(13-21)14-22(24)12-17/h15-22H,3-14H2,1-2H3/b26-25+
InChIKeyYQXFKKGVCKCGRV-OCEACIFDSA-N
MW354.58 g/mol
LogP6.65
Rot. Bonds4

About bis(2-ethyl-2-adamantyl)diazene

bis(2-ethyl-2-adamantyl)diazene (PubChem CID 134984598) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is bis(2-ethyl-2-adamantyl)diazene.

Molecular Properties

Compound Namebis(2-ethyl-2-adamantyl)diazene
PubChem CID134984598
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Namebis(2-ethyl-2-adamantyl)diazene
SMILESCCC1(/N=N/C2(CC)C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H38N2/c1-3-23(19-7-15-5-16(9-19)10-20(23)8-15)25-26-24(4-2)21-11-17-6-18(13-21)14-22(24)12-17/h15-22H,3-14H2,1-2H3/b26-25+
InChIKeyYQXFKKGVCKCGRV-OCEACIFDSA-N
XLogP6.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-2-adamantyl)diazene?
The IUPAC name of bis(2-ethyl-2-adamantyl)diazene (CID 134984598) is bis(2-ethyl-2-adamantyl)diazene.
What is the SMILES notation for bis(2-ethyl-2-adamantyl)diazene?
The canonical SMILES for bis(2-ethyl-2-adamantyl)diazene is CCC1(/N=N/C2(CC)C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3.
What is the InChIKey of bis(2-ethyl-2-adamantyl)diazene?
The InChIKey is YQXFKKGVCKCGRV-OCEACIFDSA-N. The full InChI is InChI=1S/C24H38N2/c1-3-23(19-7-15-5-16(9-19)10-20(23)8-15)25-26-24(4-2)21-11-17-6-18(13-21)14-22(24)12-17/h15-22H,3-14H2,1-2H3/b26-25+.
What are the key properties of bis(2-ethyl-2-adamantyl)diazene?
bis(2-ethyl-2-adamantyl)diazene has a molecular weight of 354.58 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-2-adamantyl)diazene is sourced from PubChem (CID 134984598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).