bis(4-azaniumylbutyl)azanium

C8H24N3+3 — CID 25245489

IUPACbis(4-azaniumylbutyl)azanium
SMILES[NH3+]CCCC[NH2+]CCCC[NH3+]
InChIInChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2/p+3
InChIKeyUODZHRGDSPLRMD-UHFFFAOYSA-Q
MW162.30 g/mol
LogP-2.41
Rot. Bonds8

About bis(4-azaniumylbutyl)azanium

bis(4-azaniumylbutyl)azanium (PubChem CID 25245489) has the molecular formula C8H24N3+3 and a molecular weight of 162.30 g/mol. Its IUPAC name is bis(4-azaniumylbutyl)azanium.

Molecular Properties

Compound Namebis(4-azaniumylbutyl)azanium
PubChem CID25245489
Molecular FormulaC8H24N3+3
Molecular Weight162.30 g/mol
Exact Mass162.20
IUPAC Namebis(4-azaniumylbutyl)azanium
SMILES[NH3+]CCCC[NH2+]CCCC[NH3+]
InChIInChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2/p+3
InChIKeyUODZHRGDSPLRMD-UHFFFAOYSA-Q
XLogP-2.41
TPSA71.89 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-azaniumylbutyl)azanium?
The IUPAC name of bis(4-azaniumylbutyl)azanium (CID 25245489) is bis(4-azaniumylbutyl)azanium.
What is the SMILES notation for bis(4-azaniumylbutyl)azanium?
The canonical SMILES for bis(4-azaniumylbutyl)azanium is [NH3+]CCCC[NH2+]CCCC[NH3+].
What is the InChIKey of bis(4-azaniumylbutyl)azanium?
The InChIKey is UODZHRGDSPLRMD-UHFFFAOYSA-Q. The full InChI is InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2/p+3.
What are the key properties of bis(4-azaniumylbutyl)azanium?
bis(4-azaniumylbutyl)azanium has a molecular weight of 162.30 g/mol, XLogP of -2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-azaniumylbutyl)azanium is sourced from PubChem (CID 25245489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).