4-azaniumylbutyl(3-azaniumylpropyl)azanium

C7H22N3+3 — CID 6992097

IUPAC4-azaniumylbutyl(3-azaniumylpropyl)azanium
SMILES[NH3+]CCCC[NH2+]CCC[NH3+]
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/p+3
InChIKeyATHGHQPFGPMSJY-UHFFFAOYSA-Q
MW148.27 g/mol
LogP-2.80
Rot. Bonds7

About 4-azaniumylbutyl(3-azaniumylpropyl)azanium

4-azaniumylbutyl(3-azaniumylpropyl)azanium (PubChem CID 6992097) has the molecular formula C7H22N3+3 and a molecular weight of 148.27 g/mol. Its IUPAC name is 4-azaniumylbutyl(3-azaniumylpropyl)azanium.

Molecular Properties

Compound Name4-azaniumylbutyl(3-azaniumylpropyl)azanium
PubChem CID6992097
Molecular FormulaC7H22N3+3
Molecular Weight148.27 g/mol
Exact Mass148.18
IUPAC Name4-azaniumylbutyl(3-azaniumylpropyl)azanium
SMILES[NH3+]CCCC[NH2+]CCC[NH3+]
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/p+3
InChIKeyATHGHQPFGPMSJY-UHFFFAOYSA-Q
XLogP-2.80
TPSA71.89 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 5-2.80
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 4-azaniumylbutyl(3-azaniumylpropyl)azanium?
The IUPAC name of 4-azaniumylbutyl(3-azaniumylpropyl)azanium (CID 6992097) is 4-azaniumylbutyl(3-azaniumylpropyl)azanium.
What is the SMILES notation for 4-azaniumylbutyl(3-azaniumylpropyl)azanium?
The canonical SMILES for 4-azaniumylbutyl(3-azaniumylpropyl)azanium is [NH3+]CCCC[NH2+]CCC[NH3+].
What is the InChIKey of 4-azaniumylbutyl(3-azaniumylpropyl)azanium?
The InChIKey is ATHGHQPFGPMSJY-UHFFFAOYSA-Q. The full InChI is InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/p+3.
What are the key properties of 4-azaniumylbutyl(3-azaniumylpropyl)azanium?
4-azaniumylbutyl(3-azaniumylpropyl)azanium has a molecular weight of 148.27 g/mol, XLogP of -2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaniumylbutyl(3-azaniumylpropyl)azanium is sourced from PubChem (CID 6992097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).