butan-2-ylazanium chloride

C4H12ClN — CID 24873

IUPACbutan-2-ylazanium chloride
SMILESCCC(C)[NH3+].[Cl-]
InChIInChI=1S/C4H11N.ClH/c1-3-4(2)5;/h4H,3,5H2,1-2H3;1H
InChIKeyVBPUICBFVUTJSE-UHFFFAOYSA-N
MW109.60 g/mol
LogP-2.97
Rot. Bonds1

About butan-2-ylazanium chloride

butan-2-ylazanium chloride (PubChem CID 24873) has the molecular formula C4H12ClN and a molecular weight of 109.60 g/mol. Its IUPAC name is butan-2-ylazanium chloride.

Molecular Properties

Compound Namebutan-2-ylazanium chloride
PubChem CID24873
Molecular FormulaC4H12ClN
Molecular Weight109.60 g/mol
Exact Mass109.07
IUPAC Namebutan-2-ylazanium chloride
SMILESCCC(C)[NH3+].[Cl-]
InChIInChI=1S/C4H11N.ClH/c1-3-4(2)5;/h4H,3,5H2,1-2H3;1H
InChIKeyVBPUICBFVUTJSE-UHFFFAOYSA-N
XLogP-2.97
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
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 butan-2-ylazanium chloride?
The IUPAC name of butan-2-ylazanium chloride (CID 24873) is butan-2-ylazanium chloride.
What is the SMILES notation for butan-2-ylazanium chloride?
The canonical SMILES for butan-2-ylazanium chloride is CCC(C)[NH3+].[Cl-].
What is the InChIKey of butan-2-ylazanium chloride?
The InChIKey is VBPUICBFVUTJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.ClH/c1-3-4(2)5;/h4H,3,5H2,1-2H3;1H.
What are the key properties of butan-2-ylazanium chloride?
butan-2-ylazanium chloride has a molecular weight of 109.60 g/mol, XLogP of -2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylazanium chloride is sourced from PubChem (CID 24873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).