dibutylazanium

C8H20N+ — CID 4094028

IUPACdibutylazanium
SMILESCCCC[NH2+]CCCC
InChIInChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3/p+1
InChIKeyJQVDAXLFBXTEQA-UHFFFAOYSA-O
MW130.25 g/mol
LogP1.15
Rot. Bonds6

About dibutylazanium

dibutylazanium (PubChem CID 4094028) has the molecular formula C8H20N+ and a molecular weight of 130.25 g/mol. Its IUPAC name is dibutylazanium.

Molecular Properties

Compound Namedibutylazanium
PubChem CID4094028
Molecular FormulaC8H20N+
Molecular Weight130.25 g/mol
Exact Mass130.16
IUPAC Namedibutylazanium
SMILESCCCC[NH2+]CCCC
InChIInChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3/p+1
InChIKeyJQVDAXLFBXTEQA-UHFFFAOYSA-O
XLogP1.15
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
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 dibutylazanium?
The IUPAC name of dibutylazanium (CID 4094028) is dibutylazanium.
What is the SMILES notation for dibutylazanium?
The canonical SMILES for dibutylazanium is CCCC[NH2+]CCCC.
What is the InChIKey of dibutylazanium?
The InChIKey is JQVDAXLFBXTEQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3/p+1.
What are the key properties of dibutylazanium?
dibutylazanium has a molecular weight of 130.25 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutylazanium is sourced from PubChem (CID 4094028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).