butyl(pentan-2-yl)diazene

C9H20N2 — CID 134985575

IUPACbutyl(pentan-2-yl)diazene
SMILESCCCC/N=N/C(C)CCC
InChIInChI=1S/C9H20N2/c1-4-6-8-10-11-9(3)7-5-2/h9H,4-8H2,1-3H3/b11-10+
InChIKeyTYRRFIKXYQOMGC-ZHACJKMWSA-N
MW156.27 g/mol
LogP3.43
Rot. Bonds6

About butyl(pentan-2-yl)diazene

butyl(pentan-2-yl)diazene (PubChem CID 134985575) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is butyl(pentan-2-yl)diazene.

Molecular Properties

Compound Namebutyl(pentan-2-yl)diazene
PubChem CID134985575
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Namebutyl(pentan-2-yl)diazene
SMILESCCCC/N=N/C(C)CCC
InChIInChI=1S/C9H20N2/c1-4-6-8-10-11-9(3)7-5-2/h9H,4-8H2,1-3H3/b11-10+
InChIKeyTYRRFIKXYQOMGC-ZHACJKMWSA-N
XLogP3.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl(pentan-2-yl)diazene?
The IUPAC name of butyl(pentan-2-yl)diazene (CID 134985575) is butyl(pentan-2-yl)diazene.
What is the SMILES notation for butyl(pentan-2-yl)diazene?
The canonical SMILES for butyl(pentan-2-yl)diazene is CCCC/N=N/C(C)CCC.
What is the InChIKey of butyl(pentan-2-yl)diazene?
The InChIKey is TYRRFIKXYQOMGC-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-6-8-10-11-9(3)7-5-2/h9H,4-8H2,1-3H3/b11-10+.
What are the key properties of butyl(pentan-2-yl)diazene?
butyl(pentan-2-yl)diazene has a molecular weight of 156.27 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(pentan-2-yl)diazene is sourced from PubChem (CID 134985575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).