[(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene

C9H16N2 — CID 130346455

IUPAC[(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene
SMILESC=C/C(=C\N=N\C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-8(7-11-10-5)9(2,3)4/h6-7H,1H2,2-5H3/b8-7+,11-10+
InChIKeyMXBCDJQKPASUTQ-ZDVGBALWSA-N
MW152.24 g/mol
LogP3.18
Rot. Bonds2

About [(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene

[(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene (PubChem CID 130346455) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is [(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene.

Molecular Properties

Compound Name[(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene
PubChem CID130346455
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name[(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene
SMILESC=C/C(=C\N=N\C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-8(7-11-10-5)9(2,3)4/h6-7H,1H2,2-5H3/b8-7+,11-10+
InChIKeyMXBCDJQKPASUTQ-ZDVGBALWSA-N
XLogP3.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.18
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene?
The IUPAC name of [(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene (CID 130346455) is [(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene.
What is the SMILES notation for [(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene?
The canonical SMILES for [(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene is C=C/C(=C\N=N\C)C(C)(C)C.
What is the InChIKey of [(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene?
The InChIKey is MXBCDJQKPASUTQ-ZDVGBALWSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-8(7-11-10-5)9(2,3)4/h6-7H,1H2,2-5H3/b8-7+,11-10+.
What are the key properties of [(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene?
[(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene has a molecular weight of 152.24 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene is sourced from PubChem (CID 130346455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).