amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide

C7H20Br2N4 — CID 15437386

IUPACamino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide
SMILESC[N+](C)(N)/C=C/C[N+](C)(C)N.[Br-].[Br-]
InChIInChI=1S/C7H20N4.2BrH/c1-10(2,8)6-5-7-11(3,4)9;;/h5-6H,7-9H2,1-4H3;2*1H/q+2;;/p-2/b6-5+;;
InChIKeyFAPVTMYUVFLNGR-TXOOBNKBSA-L
MW320.07 g/mol
LogP-6.59
Rot. Bonds3

About amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide

amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide (PubChem CID 15437386) has the molecular formula C7H20Br2N4 and a molecular weight of 320.07 g/mol. Its IUPAC name is amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide.

Molecular Properties

Compound Nameamino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide
PubChem CID15437386
Molecular FormulaC7H20Br2N4
Molecular Weight320.07 g/mol
Exact Mass318.01
IUPAC Nameamino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide
SMILESC[N+](C)(N)/C=C/C[N+](C)(C)N.[Br-].[Br-]
InChIInChI=1S/C7H20N4.2BrH/c1-10(2,8)6-5-7-11(3,4)9;;/h5-6H,7-9H2,1-4H3;2*1H/q+2;;/p-2/b6-5+;;
InChIKeyFAPVTMYUVFLNGR-TXOOBNKBSA-L
XLogP-6.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.07
LogP ≤ 5-6.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide?
The IUPAC name of amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide (CID 15437386) is amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide.
What is the SMILES notation for amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide?
The canonical SMILES for amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide is C[N+](C)(N)/C=C/C[N+](C)(C)N.[Br-].[Br-].
What is the InChIKey of amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide?
The InChIKey is FAPVTMYUVFLNGR-TXOOBNKBSA-L. The full InChI is InChI=1S/C7H20N4.2BrH/c1-10(2,8)6-5-7-11(3,4)9;;/h5-6H,7-9H2,1-4H3;2*1H/q+2;;/p-2/b6-5+;;.
What are the key properties of amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide?
amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide has a molecular weight of 320.07 g/mol, XLogP of -6.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(E)-3-[amino(dimethyl)azaniumyl]prop-1-enyl]-dimethylazanium dibromide is sourced from PubChem (CID 15437386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).