ethyl(2-methylpropyl)diazene

C6H14N2 — CID 524240

IUPACethyl(2-methylpropyl)diazene
SMILESCC/N=N/CC(C)C
InChIInChI=1S/C6H14N2/c1-4-7-8-5-6(2)3/h6H,4-5H2,1-3H3/b8-7+
InChIKeyXTJYPGLPPGVKTM-BQYQJAHWSA-N
MW114.19 g/mol
LogP2.11
Rot. Bonds3

About ethyl(2-methylpropyl)diazene

ethyl(2-methylpropyl)diazene (PubChem CID 524240) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is ethyl(2-methylpropyl)diazene.

Molecular Properties

Compound Nameethyl(2-methylpropyl)diazene
PubChem CID524240
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Nameethyl(2-methylpropyl)diazene
SMILESCC/N=N/CC(C)C
InChIInChI=1S/C6H14N2/c1-4-7-8-5-6(2)3/h6H,4-5H2,1-3H3/b8-7+
InChIKeyXTJYPGLPPGVKTM-BQYQJAHWSA-N
XLogP2.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.11
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(2-methylpropyl)diazene?
The IUPAC name of ethyl(2-methylpropyl)diazene (CID 524240) is ethyl(2-methylpropyl)diazene.
What is the SMILES notation for ethyl(2-methylpropyl)diazene?
The canonical SMILES for ethyl(2-methylpropyl)diazene is CC/N=N/CC(C)C.
What is the InChIKey of ethyl(2-methylpropyl)diazene?
The InChIKey is XTJYPGLPPGVKTM-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-7-8-5-6(2)3/h6H,4-5H2,1-3H3/b8-7+.
What are the key properties of ethyl(2-methylpropyl)diazene?
ethyl(2-methylpropyl)diazene has a molecular weight of 114.19 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(2-methylpropyl)diazene is sourced from PubChem (CID 524240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).