[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene

C9H16N2 — CID 178007899

IUPAC[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene
SMILESC=C(C)/C=C(\N=N\C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)6-9(8(3)4)11-10-5/h6,8H,1H2,2-5H3/b9-6-,11-10+
InChIKeyPIPXWAVSGSINEA-KBCDKWTQSA-N
MW152.24 g/mol
LogP3.18
Rot. Bonds3

About [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene

[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene (PubChem CID 178007899) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene.

Molecular Properties

Compound Name[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene
PubChem CID178007899
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene
SMILESC=C(C)/C=C(\N=N\C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)6-9(8(3)4)11-10-5/h6,8H,1H2,2-5H3/b9-6-,11-10+
InChIKeyPIPXWAVSGSINEA-KBCDKWTQSA-N
XLogP3.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene?
The IUPAC name of [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene (CID 178007899) is [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene.
What is the SMILES notation for [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene?
The canonical SMILES for [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene is C=C(C)/C=C(\N=N\C)C(C)C.
What is the InChIKey of [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene?
The InChIKey is PIPXWAVSGSINEA-KBCDKWTQSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)6-9(8(3)4)11-10-5/h6,8H,1H2,2-5H3/b9-6-,11-10+.
What are the key properties of [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene?
[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene has a molecular weight of 152.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-methyldiazene is sourced from PubChem (CID 178007899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).