5-methylhex-5-enyldiazene

C7H14N2 — CID 123572307

IUPAC5-methylhex-5-enyldiazene
SMILES[H]/N=N/CCCCC(=C)C
InChIInChI=1S/C7H14N2/c1-7(2)5-3-4-6-9-8/h8H,1,3-6H2,2H3/b9-8+
InChIKeyMWPZVKYWGLXYDU-CMDGGOBGSA-N
MW126.20 g/mol
LogP2.76
Rot. Bonds5

About 5-methylhex-5-enyldiazene

5-methylhex-5-enyldiazene (PubChem CID 123572307) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-methylhex-5-enyldiazene.

Molecular Properties

Compound Name5-methylhex-5-enyldiazene
PubChem CID123572307
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name5-methylhex-5-enyldiazene
SMILES[H]/N=N/CCCCC(=C)C
InChIInChI=1S/C7H14N2/c1-7(2)5-3-4-6-9-8/h8H,1,3-6H2,2H3/b9-8+
InChIKeyMWPZVKYWGLXYDU-CMDGGOBGSA-N
XLogP2.76
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.76
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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Related Compounds

2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
8-methylnon-8-en-2-imine
CID 163908836
heptyldiazene
CID 89066541
5-methylhex-5-en-1-ol
CID 10820498
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
12-nitrosododecyldiazene
CID 122463248
ethane;2-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
2-methylhex-1-ene
CID 158402499
8-chloro-2-methyloct-1-ene
CID 24721692
ethane;2-methyloct-1-ene
CID 143077596

Frequently Asked Questions

What is the IUPAC name of 5-methylhex-5-enyldiazene?
The IUPAC name of 5-methylhex-5-enyldiazene (CID 123572307) is 5-methylhex-5-enyldiazene.
What is the SMILES notation for 5-methylhex-5-enyldiazene?
The canonical SMILES for 5-methylhex-5-enyldiazene is [H]/N=N/CCCCC(=C)C.
What is the InChIKey of 5-methylhex-5-enyldiazene?
The InChIKey is MWPZVKYWGLXYDU-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)5-3-4-6-9-8/h8H,1,3-6H2,2H3/b9-8+.
What are the key properties of 5-methylhex-5-enyldiazene?
5-methylhex-5-enyldiazene has a molecular weight of 126.20 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhex-5-enyldiazene is sourced from PubChem (CID 123572307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).