5-methylhept-6-enyldiazene

C8H16N2 — CID 143872731

IUPAC5-methylhept-6-enyldiazene
SMILES[H]/N=N/CCCCC(C)C=C
InChIInChI=1S/C8H16N2/c1-3-8(2)6-4-5-7-10-9/h3,8-9H,1,4-7H2,2H3/b10-9+
InChIKeyJJFBAGAZHRFUBW-MDZDMXLPSA-N
MW140.23 g/mol
LogP3.01
Rot. Bonds6

About 5-methylhept-6-enyldiazene

5-methylhept-6-enyldiazene (PubChem CID 143872731) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-methylhept-6-enyldiazene.

Molecular Properties

Compound Name5-methylhept-6-enyldiazene
PubChem CID143872731
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-methylhept-6-enyldiazene
SMILES[H]/N=N/CCCCC(C)C=C
InChIInChI=1S/C8H16N2/c1-3-8(2)6-4-5-7-10-9/h3,8-9H,1,4-7H2,2H3/b10-9+
InChIKeyJJFBAGAZHRFUBW-MDZDMXLPSA-N
XLogP3.01
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylhept-6-enyldiazene?
The IUPAC name of 5-methylhept-6-enyldiazene (CID 143872731) is 5-methylhept-6-enyldiazene.
What is the SMILES notation for 5-methylhept-6-enyldiazene?
The canonical SMILES for 5-methylhept-6-enyldiazene is [H]/N=N/CCCCC(C)C=C.
What is the InChIKey of 5-methylhept-6-enyldiazene?
The InChIKey is JJFBAGAZHRFUBW-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-8(2)6-4-5-7-10-9/h3,8-9H,1,4-7H2,2H3/b10-9+.
What are the key properties of 5-methylhept-6-enyldiazene?
5-methylhept-6-enyldiazene has a molecular weight of 140.23 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhept-6-enyldiazene is sourced from PubChem (CID 143872731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).