4-azaniumylbutylazanium

C4H14N2+2 — CID 3452892

IUPAC4-azaniumylbutylazanium
SMILES[NH3+]CCCC[NH3+]
InChIInChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2
InChIKeyKIDHWZJUCRJVML-UHFFFAOYSA-P
MW90.17 g/mol
LogP-1.75
Rot. Bonds3

About 4-azaniumylbutylazanium

4-azaniumylbutylazanium (PubChem CID 3452892) has the molecular formula C4H14N2+2 and a molecular weight of 90.17 g/mol. Its IUPAC name is 4-azaniumylbutylazanium.

Molecular Properties

Compound Name4-azaniumylbutylazanium
PubChem CID3452892
Molecular FormulaC4H14N2+2
Molecular Weight90.17 g/mol
Exact Mass90.11
IUPAC Name4-azaniumylbutylazanium
SMILES[NH3+]CCCC[NH3+]
InChIInChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2
InChIKeyKIDHWZJUCRJVML-UHFFFAOYSA-P
XLogP-1.75
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.17
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
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 4-azaniumylbutylazanium?
The IUPAC name of 4-azaniumylbutylazanium (CID 3452892) is 4-azaniumylbutylazanium.
What is the SMILES notation for 4-azaniumylbutylazanium?
The canonical SMILES for 4-azaniumylbutylazanium is [NH3+]CCCC[NH3+].
What is the InChIKey of 4-azaniumylbutylazanium?
The InChIKey is KIDHWZJUCRJVML-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2.
What are the key properties of 4-azaniumylbutylazanium?
4-azaniumylbutylazanium has a molecular weight of 90.17 g/mol, XLogP of -1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaniumylbutylazanium is sourced from PubChem (CID 3452892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).