[azido-(ditert-butylamino)methylidene]-ditert-butylazanium

C17H36N5+ — CID 155784316

IUPAC[azido-(ditert-butylamino)methylidene]-ditert-butylazanium
SMILESCC(C)(C)N(C(N=[N+]=[N-])=[N+](C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36N5/c1-14(2,3)21(15(4,5)6)13(19-20-18)22(16(7,8)9)17(10,11)12/h1-12H3/q+1
InChIKeyIATLSNZMRQJVGV-UHFFFAOYSA-N
MW310.51 g/mol
LogP5.16
Rot. Bonds

About [azido-(ditert-butylamino)methylidene]-ditert-butylazanium

[azido-(ditert-butylamino)methylidene]-ditert-butylazanium (PubChem CID 155784316) has the molecular formula C17H36N5+ and a molecular weight of 310.51 g/mol. Its IUPAC name is [azido-(ditert-butylamino)methylidene]-ditert-butylazanium.

Molecular Properties

Compound Name[azido-(ditert-butylamino)methylidene]-ditert-butylazanium
PubChem CID155784316
Molecular FormulaC17H36N5+
Molecular Weight310.51 g/mol
Exact Mass310.30
IUPAC Name[azido-(ditert-butylamino)methylidene]-ditert-butylazanium
SMILESCC(C)(C)N(C(N=[N+]=[N-])=[N+](C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36N5/c1-14(2,3)21(15(4,5)6)13(19-20-18)22(16(7,8)9)17(10,11)12/h1-12H3/q+1
InChIKeyIATLSNZMRQJVGV-UHFFFAOYSA-N
XLogP5.16
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [azido-(ditert-butylamino)methylidene]-ditert-butylazanium?
The IUPAC name of [azido-(ditert-butylamino)methylidene]-ditert-butylazanium (CID 155784316) is [azido-(ditert-butylamino)methylidene]-ditert-butylazanium.
What is the SMILES notation for [azido-(ditert-butylamino)methylidene]-ditert-butylazanium?
The canonical SMILES for [azido-(ditert-butylamino)methylidene]-ditert-butylazanium is CC(C)(C)N(C(N=[N+]=[N-])=[N+](C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of [azido-(ditert-butylamino)methylidene]-ditert-butylazanium?
The InChIKey is IATLSNZMRQJVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N5/c1-14(2,3)21(15(4,5)6)13(19-20-18)22(16(7,8)9)17(10,11)12/h1-12H3/q+1.
What are the key properties of [azido-(ditert-butylamino)methylidene]-ditert-butylazanium?
[azido-(ditert-butylamino)methylidene]-ditert-butylazanium has a molecular weight of 310.51 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [azido-(ditert-butylamino)methylidene]-ditert-butylazanium is sourced from PubChem (CID 155784316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).