bis(2-methyl-2-adamantyl)diazene

C22H34N2 — CID 134985564

IUPACbis(2-methyl-2-adamantyl)diazene
SMILESCC1(/N=N/C2(C)C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H34N2/c1-21(17-5-13-3-14(7-17)8-18(21)6-13)23-24-22(2)19-9-15-4-16(11-19)12-20(22)10-15/h13-20H,3-12H2,1-2H3/b24-23+
InChIKeyWPLGJLGSVZRAHZ-WCWDXBQESA-N
MW326.53 g/mol
LogP5.87
Rot. Bonds2

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

bis(2-methyl-2-adamantyl)diazene (PubChem CID 134985564) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is bis(2-methyl-2-adamantyl)diazene.

Molecular Properties

Compound Namebis(2-methyl-2-adamantyl)diazene
PubChem CID134985564
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Namebis(2-methyl-2-adamantyl)diazene
SMILESCC1(/N=N/C2(C)C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H34N2/c1-21(17-5-13-3-14(7-17)8-18(21)6-13)23-24-22(2)19-9-15-4-16(11-19)12-20(22)10-15/h13-20H,3-12H2,1-2H3/b24-23+
InChIKeyWPLGJLGSVZRAHZ-WCWDXBQESA-N
XLogP5.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 55.87
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-methyl-2-adamantyl)diazene?
The IUPAC name of bis(2-methyl-2-adamantyl)diazene (CID 134985564) is bis(2-methyl-2-adamantyl)diazene.
What is the SMILES notation for bis(2-methyl-2-adamantyl)diazene?
The canonical SMILES for bis(2-methyl-2-adamantyl)diazene is CC1(/N=N/C2(C)C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3.
What is the InChIKey of bis(2-methyl-2-adamantyl)diazene?
The InChIKey is WPLGJLGSVZRAHZ-WCWDXBQESA-N. The full InChI is InChI=1S/C22H34N2/c1-21(17-5-13-3-14(7-17)8-18(21)6-13)23-24-22(2)19-9-15-4-16(11-19)12-20(22)10-15/h13-20H,3-12H2,1-2H3/b24-23+.
What are the key properties of bis(2-methyl-2-adamantyl)diazene?
bis(2-methyl-2-adamantyl)diazene has a molecular weight of 326.53 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-2-adamantyl)diazene is sourced from PubChem (CID 134985564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).