(3-amino-3-azaniumylidenepropyl)azanium dibromide

C3H11Br2N3 — CID 135536143

IUPAC(3-amino-3-azaniumylidenepropyl)azanium dibromide
SMILESNC(=[NH2+])CC[NH3+].[Br-].[Br-]
InChIInChI=1S/C3H9N3.2BrH/c4-2-1-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H
InChIKeyMBQGYBLOZIMLOH-UHFFFAOYSA-N
MW248.95 g/mol
LogP-9.26
Rot. Bonds2

About (3-amino-3-azaniumylidenepropyl)azanium dibromide

(3-amino-3-azaniumylidenepropyl)azanium dibromide (PubChem CID 135536143) has the molecular formula C3H11Br2N3 and a molecular weight of 248.95 g/mol. Its IUPAC name is (3-amino-3-azaniumylidenepropyl)azanium dibromide.

Molecular Properties

Compound Name(3-amino-3-azaniumylidenepropyl)azanium dibromide
PubChem CID135536143
Molecular FormulaC3H11Br2N3
Molecular Weight248.95 g/mol
Exact Mass246.93
IUPAC Name(3-amino-3-azaniumylidenepropyl)azanium dibromide
SMILESNC(=[NH2+])CC[NH3+].[Br-].[Br-]
InChIInChI=1S/C3H9N3.2BrH/c4-2-1-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H
InChIKeyMBQGYBLOZIMLOH-UHFFFAOYSA-N
XLogP-9.26
TPSA79.25 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.95
LogP ≤ 5-9.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-amino-3-azaniumylidenepropyl)azanium dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-azaniumylidenepropyl)azanium dibromide?
The IUPAC name of (3-amino-3-azaniumylidenepropyl)azanium dibromide (CID 135536143) is (3-amino-3-azaniumylidenepropyl)azanium dibromide.
What is the SMILES notation for (3-amino-3-azaniumylidenepropyl)azanium dibromide?
The canonical SMILES for (3-amino-3-azaniumylidenepropyl)azanium dibromide is NC(=[NH2+])CC[NH3+].[Br-].[Br-].
What is the InChIKey of (3-amino-3-azaniumylidenepropyl)azanium dibromide?
The InChIKey is MBQGYBLOZIMLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.2BrH/c4-2-1-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H.
What are the key properties of (3-amino-3-azaniumylidenepropyl)azanium dibromide?
(3-amino-3-azaniumylidenepropyl)azanium dibromide has a molecular weight of 248.95 g/mol, XLogP of -9.26, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-azaniumylidenepropyl)azanium dibromide is sourced from PubChem (CID 135536143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).