bis(4-methylpentan-2-yl)diazene

C12H26N2 — CID 89143890

IUPACbis(4-methylpentan-2-yl)diazene
SMILESCC(C)CC(C)/N=N/C(C)CC(C)C
InChIInChI=1S/C12H26N2/c1-9(2)7-11(5)13-14-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3/b14-13+
InChIKeyLAFKRISMRJGHSI-BUHFOSPRSA-N
MW198.35 g/mol
LogP4.31
Rot. Bonds6

About bis(4-methylpentan-2-yl)diazene

bis(4-methylpentan-2-yl)diazene (PubChem CID 89143890) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is bis(4-methylpentan-2-yl)diazene.

Molecular Properties

Compound Namebis(4-methylpentan-2-yl)diazene
PubChem CID89143890
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Namebis(4-methylpentan-2-yl)diazene
SMILESCC(C)CC(C)/N=N/C(C)CC(C)C
InChIInChI=1S/C12H26N2/c1-9(2)7-11(5)13-14-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3/b14-13+
InChIKeyLAFKRISMRJGHSI-BUHFOSPRSA-N
XLogP4.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.31
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(4-methylpentan-2-yl)diazene?
The IUPAC name of bis(4-methylpentan-2-yl)diazene (CID 89143890) is bis(4-methylpentan-2-yl)diazene.
What is the SMILES notation for bis(4-methylpentan-2-yl)diazene?
The canonical SMILES for bis(4-methylpentan-2-yl)diazene is CC(C)CC(C)/N=N/C(C)CC(C)C.
What is the InChIKey of bis(4-methylpentan-2-yl)diazene?
The InChIKey is LAFKRISMRJGHSI-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)7-11(5)13-14-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3/b14-13+.
What are the key properties of bis(4-methylpentan-2-yl)diazene?
bis(4-methylpentan-2-yl)diazene has a molecular weight of 198.35 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylpentan-2-yl)diazene is sourced from PubChem (CID 89143890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).