butylazanium chloride

C4H12ClN — CID 19726

IUPACbutylazanium chloride
SMILESCCCC[NH3+].[Cl-]
InChIInChI=1S/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H
InChIKeyICXXXLGATNSZAV-UHFFFAOYSA-N
MW109.60 g/mol
LogP-2.97
Rot. Bonds2

About butylazanium chloride

butylazanium chloride (PubChem CID 19726) has the molecular formula C4H12ClN and a molecular weight of 109.60 g/mol. Its IUPAC name is butylazanium chloride.

Molecular Properties

Compound Namebutylazanium chloride
PubChem CID19726
Molecular FormulaC4H12ClN
Molecular Weight109.60 g/mol
Exact Mass109.07
IUPAC Namebutylazanium chloride
SMILESCCCC[NH3+].[Cl-]
InChIInChI=1S/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H
InChIKeyICXXXLGATNSZAV-UHFFFAOYSA-N
XLogP-2.97
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.60
LogP ≤ 5-2.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butylazanium chloride?
The IUPAC name of butylazanium chloride (CID 19726) is butylazanium chloride.
What is the SMILES notation for butylazanium chloride?
The canonical SMILES for butylazanium chloride is CCCC[NH3+].[Cl-].
What is the InChIKey of butylazanium chloride?
The InChIKey is ICXXXLGATNSZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H.
What are the key properties of butylazanium chloride?
butylazanium chloride has a molecular weight of 109.60 g/mol, XLogP of -2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylazanium chloride is sourced from PubChem (CID 19726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).