bis(3-methylpentyl)diazene

C12H26N2 — CID 91295494

IUPACbis(3-methylpentyl)diazene
SMILESCCC(C)CC/N=N/CCC(C)CC
InChIInChI=1S/C12H26N2/c1-5-11(3)7-9-13-14-10-8-12(4)6-2/h11-12H,5-10H2,1-4H3/b14-13+
InChIKeyYIBRMYQBDACODD-BUHFOSPRSA-N
MW198.35 g/mol
LogP4.31
Rot. Bonds8

About bis(3-methylpentyl)diazene

bis(3-methylpentyl)diazene (PubChem CID 91295494) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is bis(3-methylpentyl)diazene.

Molecular Properties

Compound Namebis(3-methylpentyl)diazene
PubChem CID91295494
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Namebis(3-methylpentyl)diazene
SMILESCCC(C)CC/N=N/CCC(C)CC
InChIInChI=1S/C12H26N2/c1-5-11(3)7-9-13-14-10-8-12(4)6-2/h11-12H,5-10H2,1-4H3/b14-13+
InChIKeyYIBRMYQBDACODD-BUHFOSPRSA-N
XLogP4.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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(3-methylpentyl)diazene?
The IUPAC name of bis(3-methylpentyl)diazene (CID 91295494) is bis(3-methylpentyl)diazene.
What is the SMILES notation for bis(3-methylpentyl)diazene?
The canonical SMILES for bis(3-methylpentyl)diazene is CCC(C)CC/N=N/CCC(C)CC.
What is the InChIKey of bis(3-methylpentyl)diazene?
The InChIKey is YIBRMYQBDACODD-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-11(3)7-9-13-14-10-8-12(4)6-2/h11-12H,5-10H2,1-4H3/b14-13+.
What are the key properties of bis(3-methylpentyl)diazene?
bis(3-methylpentyl)diazene has a molecular weight of 198.35 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylpentyl)diazene is sourced from PubChem (CID 91295494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).