butan-2-yl(ethoxy)diazene

C6H14N2O — CID 123383651

IUPACbutan-2-yl(ethoxy)diazene
SMILESCCO/N=N/C(C)CC
InChIInChI=1S/C6H14N2O/c1-4-6(3)7-8-9-5-2/h6H,4-5H2,1-3H3/b8-7+
InChIKeyGQYRXWKJTJAVCK-BQYQJAHWSA-N
MW130.19 g/mol
LogP2.19
Rot. Bonds4

About butan-2-yl(ethoxy)diazene

butan-2-yl(ethoxy)diazene (PubChem CID 123383651) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is butan-2-yl(ethoxy)diazene.

Molecular Properties

Compound Namebutan-2-yl(ethoxy)diazene
PubChem CID123383651
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Namebutan-2-yl(ethoxy)diazene
SMILESCCO/N=N/C(C)CC
InChIInChI=1S/C6H14N2O/c1-4-6(3)7-8-9-5-2/h6H,4-5H2,1-3H3/b8-7+
InChIKeyGQYRXWKJTJAVCK-BQYQJAHWSA-N
XLogP2.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl(ethoxy)diazene?
The IUPAC name of butan-2-yl(ethoxy)diazene (CID 123383651) is butan-2-yl(ethoxy)diazene.
What is the SMILES notation for butan-2-yl(ethoxy)diazene?
The canonical SMILES for butan-2-yl(ethoxy)diazene is CCO/N=N/C(C)CC.
What is the InChIKey of butan-2-yl(ethoxy)diazene?
The InChIKey is GQYRXWKJTJAVCK-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4-6(3)7-8-9-5-2/h6H,4-5H2,1-3H3/b8-7+.
What are the key properties of butan-2-yl(ethoxy)diazene?
butan-2-yl(ethoxy)diazene has a molecular weight of 130.19 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(ethoxy)diazene is sourced from PubChem (CID 123383651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).