(3E,5E)-3-azido-6-methylocta-3,5-diene

C9H15N3 — CID 89301366

IUPAC(3E,5E)-3-azido-6-methylocta-3,5-diene
SMILESCC/C(C)=C/C=C(\CC)N=[N+]=[N-]
InChIInChI=1S/C9H15N3/c1-4-8(3)6-7-9(5-2)11-12-10/h6-7H,4-5H2,1-3H3/b8-6+,9-7+
InChIKeyZIWLMBKRAXKUSL-CDJQDVQCSA-N
MW165.24 g/mol
LogP3.95
Rot. Bonds4

About (3E,5E)-3-azido-6-methylocta-3,5-diene

(3E,5E)-3-azido-6-methylocta-3,5-diene (PubChem CID 89301366) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (3E,5E)-3-azido-6-methylocta-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-3-azido-6-methylocta-3,5-diene
PubChem CID89301366
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(3E,5E)-3-azido-6-methylocta-3,5-diene
SMILESCC/C(C)=C/C=C(\CC)N=[N+]=[N-]
InChIInChI=1S/C9H15N3/c1-4-8(3)6-7-9(5-2)11-12-10/h6-7H,4-5H2,1-3H3/b8-6+,9-7+
InChIKeyZIWLMBKRAXKUSL-CDJQDVQCSA-N
XLogP3.95
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3E,5E)-3-azido-6-methylocta-3,5-diene 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 (3E,5E)-3-azido-6-methylocta-3,5-diene?
The IUPAC name of (3E,5E)-3-azido-6-methylocta-3,5-diene (CID 89301366) is (3E,5E)-3-azido-6-methylocta-3,5-diene.
What is the SMILES notation for (3E,5E)-3-azido-6-methylocta-3,5-diene?
The canonical SMILES for (3E,5E)-3-azido-6-methylocta-3,5-diene is CC/C(C)=C/C=C(\CC)N=[N+]=[N-].
What is the InChIKey of (3E,5E)-3-azido-6-methylocta-3,5-diene?
The InChIKey is ZIWLMBKRAXKUSL-CDJQDVQCSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-8(3)6-7-9(5-2)11-12-10/h6-7H,4-5H2,1-3H3/b8-6+,9-7+.
What are the key properties of (3E,5E)-3-azido-6-methylocta-3,5-diene?
(3E,5E)-3-azido-6-methylocta-3,5-diene has a molecular weight of 165.24 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3-azido-6-methylocta-3,5-diene is sourced from PubChem (CID 89301366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).