(4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene

C13H25N5 — CID 152781152

IUPAC(4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene
SMILESC=C(C)CC(CC(C)C)(N=[N+]=[N-])/N=N/C(C)(C)C
InChIInChI=1S/C13H25N5/c1-10(2)8-13(17-18-14,9-11(3)4)16-15-12(5,6)7/h11H,1,8-9H2,2-7H3/b16-15+
InChIKeyXWIXKLLLDJOSSF-FOCLMDBBSA-N
MW251.38 g/mol
LogP5.26
Rot. Bonds6

About (4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene

(4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene (PubChem CID 152781152) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is (4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene.

Molecular Properties

Compound Name(4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene
PubChem CID152781152
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name(4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene
SMILESC=C(C)CC(CC(C)C)(N=[N+]=[N-])/N=N/C(C)(C)C
InChIInChI=1S/C13H25N5/c1-10(2)8-13(17-18-14,9-11(3)4)16-15-12(5,6)7/h11H,1,8-9H2,2-7H3/b16-15+
InChIKeyXWIXKLLLDJOSSF-FOCLMDBBSA-N
XLogP5.26
TPSA73.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene?
The IUPAC name of (4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene (CID 152781152) is (4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene.
What is the SMILES notation for (4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene?
The canonical SMILES for (4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene is C=C(C)CC(CC(C)C)(N=[N+]=[N-])/N=N/C(C)(C)C.
What is the InChIKey of (4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene?
The InChIKey is XWIXKLLLDJOSSF-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H25N5/c1-10(2)8-13(17-18-14,9-11(3)4)16-15-12(5,6)7/h11H,1,8-9H2,2-7H3/b16-15+.
What are the key properties of (4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene?
(4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene has a molecular weight of 251.38 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azido-2,6-dimethylhept-1-en-4-yl)-tert-butyldiazene is sourced from PubChem (CID 152781152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).