3,7,11-trimethyldodeca-3,6,10-trienyldiazene

C15H26N2 — CID 90783684

IUPAC3,7,11-trimethyldodeca-3,6,10-trienyldiazene
SMILES[H]/N=N/CCC(C)=CCC=C(C)CCC=C(C)C
InChIInChI=1S/C15H26N2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-17-16/h7,9-10,16H,5-6,8,11-12H2,1-4H3/b14-9?,15-10?,17-16+
InChIKeyKEHULHFXAYJKGO-HAJKWASFSA-N
MW234.39 g/mol
LogP5.44
Rot. Bonds8

About 3,7,11-trimethyldodeca-3,6,10-trienyldiazene

3,7,11-trimethyldodeca-3,6,10-trienyldiazene (PubChem CID 90783684) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-3,6,10-trienyldiazene.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-3,6,10-trienyldiazene
PubChem CID90783684
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3,7,11-trimethyldodeca-3,6,10-trienyldiazene
SMILES[H]/N=N/CCC(C)=CCC=C(C)CCC=C(C)C
InChIInChI=1S/C15H26N2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-17-16/h7,9-10,16H,5-6,8,11-12H2,1-4H3/b14-9?,15-10?,17-16+
InChIKeyKEHULHFXAYJKGO-HAJKWASFSA-N
XLogP5.44
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.39
LogP ≤ 55.44
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,7,11-trimethyldodeca-3,6,10-trienyldiazene with MolForge

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

Launch Full Analysis

Related Compounds

(2E)-1-azido-3,7-dimethylocta-2,6-diene
CID 11008510
Farnesyl azide
CID 54100283
1-Azido-3,7-dimethylocta-2,6-diene
CID 54335697
(4e,8e,12e,16e)-4,8,13,17,21-Penta-methyl-4,8,12,16,20-docosapentaenyl azide
CID 10476747
(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienylazide
CID 10014874
6-Azido-2-methylhept-2-ene
CID 13512615
(2Z)-1-azido-3,7-dimethylocta-2,6-diene
CID 13544477
(2Z,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene
CID 58664990
(2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene
CID 58664992
6-Azido-2-methylhex-2-ene
CID 85990394
(2E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene
CID 91593033
[(4E,8E)-10-chloro-4,8-dimethyldeca-4,8-dienyl]diazene
CID 122429537

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-3,6,10-trienyldiazene?
The IUPAC name of 3,7,11-trimethyldodeca-3,6,10-trienyldiazene (CID 90783684) is 3,7,11-trimethyldodeca-3,6,10-trienyldiazene.
What is the SMILES notation for 3,7,11-trimethyldodeca-3,6,10-trienyldiazene?
The canonical SMILES for 3,7,11-trimethyldodeca-3,6,10-trienyldiazene is [H]/N=N/CCC(C)=CCC=C(C)CCC=C(C)C.
What is the InChIKey of 3,7,11-trimethyldodeca-3,6,10-trienyldiazene?
The InChIKey is KEHULHFXAYJKGO-HAJKWASFSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-17-16/h7,9-10,16H,5-6,8,11-12H2,1-4H3/b14-9?,15-10?,17-16+.
What are the key properties of 3,7,11-trimethyldodeca-3,6,10-trienyldiazene?
3,7,11-trimethyldodeca-3,6,10-trienyldiazene has a molecular weight of 234.39 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-3,6,10-trienyldiazene is sourced from PubChem (CID 90783684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).