butylazanium

C4H12N+ — CID 3614750

IUPACbutylazanium
SMILESCCCC[NH3+]
InChIInChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3/p+1
InChIKeyHQABUPZFAYXKJW-UHFFFAOYSA-O
MW74.15 g/mol
LogP0.03
Rot. Bonds2

About butylazanium

butylazanium (PubChem CID 3614750) has the molecular formula C4H12N+ and a molecular weight of 74.15 g/mol. Its IUPAC name is butylazanium.

Molecular Properties

Compound Namebutylazanium
PubChem CID3614750
Molecular FormulaC4H12N+
Molecular Weight74.15 g/mol
Exact Mass74.10
IUPAC Namebutylazanium
SMILESCCCC[NH3+]
InChIInChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3/p+1
InChIKeyHQABUPZFAYXKJW-UHFFFAOYSA-O
XLogP0.03
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butylazanium?
The IUPAC name of butylazanium (CID 3614750) is butylazanium.
What is the SMILES notation for butylazanium?
The canonical SMILES for butylazanium is CCCC[NH3+].
What is the InChIKey of butylazanium?
The InChIKey is HQABUPZFAYXKJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3/p+1.
What are the key properties of butylazanium?
butylazanium has a molecular weight of 74.15 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylazanium is sourced from PubChem (CID 3614750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).