amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium

C5H13N4+ — CID 91587678

IUPACamino-dimethyl-(prop-1-en-2-yldiazenyl)azanium
SMILESC=C(C)/N=N/[N+](C)(C)N
InChIInChI=1S/C5H13N4/c1-5(2)7-8-9(3,4)6/h1,6H2,2-4H3/q+1/b8-7+
InChIKeyXGKGTUVATJSWQW-BQYQJAHWSA-N
MW129.19 g/mol
LogP0.84
Rot. Bonds2

About amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium

amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium (PubChem CID 91587678) has the molecular formula C5H13N4+ and a molecular weight of 129.19 g/mol. Its IUPAC name is amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium.

Molecular Properties

Compound Nameamino-dimethyl-(prop-1-en-2-yldiazenyl)azanium
PubChem CID91587678
Molecular FormulaC5H13N4+
Molecular Weight129.19 g/mol
Exact Mass129.11
IUPAC Nameamino-dimethyl-(prop-1-en-2-yldiazenyl)azanium
SMILESC=C(C)/N=N/[N+](C)(C)N
InChIInChI=1S/C5H13N4/c1-5(2)7-8-9(3,4)6/h1,6H2,2-4H3/q+1/b8-7+
InChIKeyXGKGTUVATJSWQW-BQYQJAHWSA-N
XLogP0.84
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium?
The IUPAC name of amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium (CID 91587678) is amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium.
What is the SMILES notation for amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium?
The canonical SMILES for amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium is C=C(C)/N=N/[N+](C)(C)N.
What is the InChIKey of amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium?
The InChIKey is XGKGTUVATJSWQW-BQYQJAHWSA-N. The full InChI is InChI=1S/C5H13N4/c1-5(2)7-8-9(3,4)6/h1,6H2,2-4H3/q+1/b8-7+.
What are the key properties of amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium?
amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium has a molecular weight of 129.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-dimethyl-(prop-1-en-2-yldiazenyl)azanium is sourced from PubChem (CID 91587678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).