1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene

C18H28N2 — CID 134985208

IUPAC1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene
SMILESC1CC2(/N=N/C34CC5CC(CC(C5)C3)C4)CCC1CC2
InChIInChI=1S/C18H28N2/c1-4-17(5-2-13(1)3-6-17)19-20-18-10-14-7-15(11-18)9-16(8-14)12-18/h13-16H,1-12H2/b20-19+
InChIKeyDPNBDOZYEJESLU-FMQUCBEESA-N
MW272.44 g/mol
LogP5.13
Rot. Bonds2

About 1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene

1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene (PubChem CID 134985208) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene.

Molecular Properties

Compound Name1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene
PubChem CID134985208
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene
SMILESC1CC2(/N=N/C34CC5CC(CC(C5)C3)C4)CCC1CC2
InChIInChI=1S/C18H28N2/c1-4-17(5-2-13(1)3-6-17)19-20-18-10-14-7-15(11-18)9-16(8-14)12-18/h13-16H,1-12H2/b20-19+
InChIKeyDPNBDOZYEJESLU-FMQUCBEESA-N
XLogP5.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.13
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'}

Analyze 1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Azidoadamantane
CID 357114
4-Azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 357109
e-Diazene, bis(1-adamantyl)-
CID 141100
e-Diazene, bis(bicyclo(2.2.2)oct-1-yl)-
CID 144861
1-Azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 494351
Adamantyl diazene
CID 90243235
CID 10859436
CID 10859436
Bis(1-tricyclo[4.4.0.03,8]decanyl)diazene
CID 15153628
1-[(1-Adamantylimino-lambda4-selanylidene)amino]adamantane
CID 101199877
Bis(2-adamantyl)diazene
CID 134983972
Bis(2-ethyl-2-adamantyl)diazene
CID 134984598
Bis(2-methyl-2-adamantyl)diazene
CID 134985564

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene?
The IUPAC name of 1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene (CID 134985208) is 1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene.
What is the SMILES notation for 1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene?
The canonical SMILES for 1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene is C1CC2(/N=N/C34CC5CC(CC(C5)C3)C4)CCC1CC2.
What is the InChIKey of 1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene?
The InChIKey is DPNBDOZYEJESLU-FMQUCBEESA-N. The full InChI is InChI=1S/C18H28N2/c1-4-17(5-2-13(1)3-6-17)19-20-18-10-14-7-15(11-18)9-16(8-14)12-18/h13-16H,1-12H2/b20-19+.
What are the key properties of 1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene?
1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene has a molecular weight of 272.44 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene is sourced from PubChem (CID 134985208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).