bis(3-ethylpentyl)diazene

C14H30N2 — CID 90690041

IUPACbis(3-ethylpentyl)diazene
SMILESCCC(CC)CC/N=N/CCC(CC)CC
InChIInChI=1S/C14H30N2/c1-5-13(6-2)9-11-15-16-12-10-14(7-3)8-4/h13-14H,5-12H2,1-4H3/b16-15+
InChIKeyFWZARDYGGBWWDS-FOCLMDBBSA-N
MW226.41 g/mol
LogP5.09
Rot. Bonds10

About bis(3-ethylpentyl)diazene

bis(3-ethylpentyl)diazene (PubChem CID 90690041) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is bis(3-ethylpentyl)diazene.

Molecular Properties

Compound Namebis(3-ethylpentyl)diazene
PubChem CID90690041
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Namebis(3-ethylpentyl)diazene
SMILESCCC(CC)CC/N=N/CCC(CC)CC
InChIInChI=1S/C14H30N2/c1-5-13(6-2)9-11-15-16-12-10-14(7-3)8-4/h13-14H,5-12H2,1-4H3/b16-15+
InChIKeyFWZARDYGGBWWDS-FOCLMDBBSA-N
XLogP5.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.41
LogP ≤ 55.09
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-ethylpentyl)diazene?
The IUPAC name of bis(3-ethylpentyl)diazene (CID 90690041) is bis(3-ethylpentyl)diazene.
What is the SMILES notation for bis(3-ethylpentyl)diazene?
The canonical SMILES for bis(3-ethylpentyl)diazene is CCC(CC)CC/N=N/CCC(CC)CC.
What is the InChIKey of bis(3-ethylpentyl)diazene?
The InChIKey is FWZARDYGGBWWDS-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13(6-2)9-11-15-16-12-10-14(7-3)8-4/h13-14H,5-12H2,1-4H3/b16-15+.
What are the key properties of bis(3-ethylpentyl)diazene?
bis(3-ethylpentyl)diazene has a molecular weight of 226.41 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethylpentyl)diazene is sourced from PubChem (CID 90690041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).