ethyl(propyl)diazene

C5H12N2 — CID 526059

IUPACethyl(propyl)diazene
SMILESCCC/N=N/CC
InChIInChI=1S/C5H12N2/c1-3-5-7-6-4-2/h3-5H2,1-2H3/b7-6+
InChIKeyVAWYKQQGAKFVAY-VOTSOKGWSA-N
MW100.16 g/mol
LogP1.87
Rot. Bonds3

About ethyl(propyl)diazene

ethyl(propyl)diazene (PubChem CID 526059) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is ethyl(propyl)diazene.

Molecular Properties

Compound Nameethyl(propyl)diazene
PubChem CID526059
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Nameethyl(propyl)diazene
SMILESCCC/N=N/CC
InChIInChI=1S/C5H12N2/c1-3-5-7-6-4-2/h3-5H2,1-2H3/b7-6+
InChIKeyVAWYKQQGAKFVAY-VOTSOKGWSA-N
XLogP1.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.87
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 ethyl(propyl)diazene?
The IUPAC name of ethyl(propyl)diazene (CID 526059) is ethyl(propyl)diazene.
What is the SMILES notation for ethyl(propyl)diazene?
The canonical SMILES for ethyl(propyl)diazene is CCC/N=N/CC.
What is the InChIKey of ethyl(propyl)diazene?
The InChIKey is VAWYKQQGAKFVAY-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-5-7-6-4-2/h3-5H2,1-2H3/b7-6+.
What are the key properties of ethyl(propyl)diazene?
ethyl(propyl)diazene has a molecular weight of 100.16 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(propyl)diazene is sourced from PubChem (CID 526059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).