di(butan-2-yl)diazene

C8H18N2 — CID 524239

IUPACdi(butan-2-yl)diazene
SMILESCCC(C)/N=N/C(C)CC
InChIInChI=1S/C8H18N2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3/b10-9+
InChIKeyGRXNCUZPWWIDKG-MDZDMXLPSA-N
MW142.25 g/mol
LogP3.04
Rot. Bonds4

About di(butan-2-yl)diazene

di(butan-2-yl)diazene (PubChem CID 524239) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is di(butan-2-yl)diazene.

Molecular Properties

Compound Namedi(butan-2-yl)diazene
PubChem CID524239
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Namedi(butan-2-yl)diazene
SMILESCCC(C)/N=N/C(C)CC
InChIInChI=1S/C8H18N2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3/b10-9+
InChIKeyGRXNCUZPWWIDKG-MDZDMXLPSA-N
XLogP3.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 53.04
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 di(butan-2-yl)diazene?
The IUPAC name of di(butan-2-yl)diazene (CID 524239) is di(butan-2-yl)diazene.
What is the SMILES notation for di(butan-2-yl)diazene?
The canonical SMILES for di(butan-2-yl)diazene is CCC(C)/N=N/C(C)CC.
What is the InChIKey of di(butan-2-yl)diazene?
The InChIKey is GRXNCUZPWWIDKG-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3/b10-9+.
What are the key properties of di(butan-2-yl)diazene?
di(butan-2-yl)diazene has a molecular weight of 142.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)diazene is sourced from PubChem (CID 524239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).