bis(2-adamantyl)diazene

C20H30N2 — CID 134983972

IUPACbis(2-adamantyl)diazene
SMILESC1C2CC3CC1CC(C2)C3/N=N/C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30N2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2/b22-21+
InChIKeyUUYUTSJKCDQQJE-QURGRASLSA-N
MW298.47 g/mol
LogP5.09
Rot. Bonds2

About bis(2-adamantyl)diazene

bis(2-adamantyl)diazene (PubChem CID 134983972) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is bis(2-adamantyl)diazene.

Molecular Properties

Compound Namebis(2-adamantyl)diazene
PubChem CID134983972
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Namebis(2-adamantyl)diazene
SMILESC1C2CC3CC1CC(C2)C3/N=N/C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30N2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2/b22-21+
InChIKeyUUYUTSJKCDQQJE-QURGRASLSA-N
XLogP5.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.09
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-adamantyl)diazene?
The IUPAC name of bis(2-adamantyl)diazene (CID 134983972) is bis(2-adamantyl)diazene.
What is the SMILES notation for bis(2-adamantyl)diazene?
The canonical SMILES for bis(2-adamantyl)diazene is C1C2CC3CC1CC(C2)C3/N=N/C1C2CC3CC(C2)CC1C3.
What is the InChIKey of bis(2-adamantyl)diazene?
The InChIKey is UUYUTSJKCDQQJE-QURGRASLSA-N. The full InChI is InChI=1S/C20H30N2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2/b22-21+.
What are the key properties of bis(2-adamantyl)diazene?
bis(2-adamantyl)diazene has a molecular weight of 298.47 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-adamantyl)diazene is sourced from PubChem (CID 134983972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).