1-azido-3,7-dimethylocta-2,6-diene

C10H17N3 — CID 54335697

IUPAC1-azido-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCCC(C)=CCN=[N+]=[N-]
InChIInChI=1S/C10H17N3/c1-9(2)5-4-6-10(3)7-8-12-13-11/h5,7H,4,6,8H2,1-3H3
InChIKeyTVHVHSOCOVZUCZ-UHFFFAOYSA-N
MW179.27 g/mol
LogP3.99
Rot. Bonds5

About 1-azido-3,7-dimethylocta-2,6-diene

1-azido-3,7-dimethylocta-2,6-diene (PubChem CID 54335697) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-azido-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name1-azido-3,7-dimethylocta-2,6-diene
PubChem CID54335697
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-azido-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCCC(C)=CCN=[N+]=[N-]
InChIInChI=1S/C10H17N3/c1-9(2)5-4-6-10(3)7-8-12-13-11/h5,7H,4,6,8H2,1-3H3
InChIKeyTVHVHSOCOVZUCZ-UHFFFAOYSA-N
XLogP3.99
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 53.99
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2E)-1-azido-3,7-dimethylocta-2,6-diene
CID 11008510
Geranylgeranyl azide
CID 14834742
5-Azido-2-methylpent-2-ene
CID 21583071
Farnesyl azide
CID 54100283
(2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 91219148
Azido-squalene
CID 162786419
(4e,8e,12e,16e)-4,8,13,17,21-Penta-methyl-4,8,12,16,20-docosapentaenyl azide
CID 10476747
(6e,9z,12e)-9,10-Diazaoctadeca-1,6,9,12,17-pentaene
CID 13703669
3,7,11-Trimethyldodeca-3,6,10-trienyldiazene
CID 90783684
Squalene azide
CID 129725107
Isopropylazo-1-propene
CID 129741356
8-Azidoocta-1,6-diene
CID 134851056

Frequently Asked Questions

What is the IUPAC name of 1-azido-3,7-dimethylocta-2,6-diene?
The IUPAC name of 1-azido-3,7-dimethylocta-2,6-diene (CID 54335697) is 1-azido-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for 1-azido-3,7-dimethylocta-2,6-diene?
The canonical SMILES for 1-azido-3,7-dimethylocta-2,6-diene is CC(C)=CCCC(C)=CCN=[N+]=[N-].
What is the InChIKey of 1-azido-3,7-dimethylocta-2,6-diene?
The InChIKey is TVHVHSOCOVZUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(2)5-4-6-10(3)7-8-12-13-11/h5,7H,4,6,8H2,1-3H3.
What are the key properties of 1-azido-3,7-dimethylocta-2,6-diene?
1-azido-3,7-dimethylocta-2,6-diene has a molecular weight of 179.27 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 54335697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).