(2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene

C15H25N3 — CID 10014874

IUPAC(2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN=[N+]=[N-]
InChIInChI=1S/C15H25N3/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-17-18-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
InChIKeyNABGUVGEYUSZJC-YFVJMOTDSA-N
MW247.39 g/mol
LogP5.72
Rot. Bonds8

About (2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene

(2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene (PubChem CID 10014874) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene.

Molecular Properties

Compound Name(2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene
PubChem CID10014874
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN=[N+]=[N-]
InChIInChI=1S/C15H25N3/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-17-18-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
InChIKeyNABGUVGEYUSZJC-YFVJMOTDSA-N
XLogP5.72
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.39
LogP ≤ 55.72
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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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene?
The IUPAC name of (2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene (CID 10014874) is (2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene.
What is the SMILES notation for (2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene?
The canonical SMILES for (2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN=[N+]=[N-].
What is the InChIKey of (2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene?
The InChIKey is NABGUVGEYUSZJC-YFVJMOTDSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-17-18-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+.
What are the key properties of (2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene?
(2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene has a molecular weight of 247.39 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-1-azido-3,7,11-trimethyldodeca-2,6,10-triene is sourced from PubChem (CID 10014874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).