4-azaniumylbutyl(diaminomethylidene)azanium

C5H16N4+2 — CID 5257176

IUPAC4-azaniumylbutyl(diaminomethylidene)azanium
SMILESNC(N)=[NH+]CCCC[NH3+]
InChIInChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)/p+2
InChIKeyQYPPJABKJHAVHS-UHFFFAOYSA-P
MW132.21 g/mol
LogP-3.64
Rot. Bonds4

About 4-azaniumylbutyl(diaminomethylidene)azanium

4-azaniumylbutyl(diaminomethylidene)azanium (PubChem CID 5257176) has the molecular formula C5H16N4+2 and a molecular weight of 132.21 g/mol. Its IUPAC name is 4-azaniumylbutyl(diaminomethylidene)azanium.

Molecular Properties

Compound Name4-azaniumylbutyl(diaminomethylidene)azanium
PubChem CID5257176
Molecular FormulaC5H16N4+2
Molecular Weight132.21 g/mol
Exact Mass132.14
IUPAC Name4-azaniumylbutyl(diaminomethylidene)azanium
SMILESNC(N)=[NH+]CCCC[NH3+]
InChIInChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)/p+2
InChIKeyQYPPJABKJHAVHS-UHFFFAOYSA-P
XLogP-3.64
TPSA93.65 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-3.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-azaniumylbutyl(diaminomethylidene)azanium 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 4-azaniumylbutyl(diaminomethylidene)azanium?
The IUPAC name of 4-azaniumylbutyl(diaminomethylidene)azanium (CID 5257176) is 4-azaniumylbutyl(diaminomethylidene)azanium.
What is the SMILES notation for 4-azaniumylbutyl(diaminomethylidene)azanium?
The canonical SMILES for 4-azaniumylbutyl(diaminomethylidene)azanium is NC(N)=[NH+]CCCC[NH3+].
What is the InChIKey of 4-azaniumylbutyl(diaminomethylidene)azanium?
The InChIKey is QYPPJABKJHAVHS-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)/p+2.
What are the key properties of 4-azaniumylbutyl(diaminomethylidene)azanium?
4-azaniumylbutyl(diaminomethylidene)azanium has a molecular weight of 132.21 g/mol, XLogP of -3.64, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaniumylbutyl(diaminomethylidene)azanium is sourced from PubChem (CID 5257176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).