cyclobutylazanium chloride

C4H10ClN — CID 53422273

IUPACcyclobutylazanium chloride
SMILES[Cl-].[NH3+]C1CCC1
InChIInChI=1S/C4H9N.ClH/c5-4-2-1-3-4;/h4H,1-3,5H2;1H
InChIKeyNFAZOGXQOWEWBM-UHFFFAOYSA-N
MW107.58 g/mol
LogP-3.22
Rot. Bonds

About cyclobutylazanium chloride

cyclobutylazanium chloride (PubChem CID 53422273) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is cyclobutylazanium chloride.

Molecular Properties

Compound Namecyclobutylazanium chloride
PubChem CID53422273
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Namecyclobutylazanium chloride
SMILES[Cl-].[NH3+]C1CCC1
InChIInChI=1S/C4H9N.ClH/c5-4-2-1-3-4;/h4H,1-3,5H2;1H
InChIKeyNFAZOGXQOWEWBM-UHFFFAOYSA-N
XLogP-3.22
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 5-3.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclobutylazanium chloride?
The IUPAC name of cyclobutylazanium chloride (CID 53422273) is cyclobutylazanium chloride.
What is the SMILES notation for cyclobutylazanium chloride?
The canonical SMILES for cyclobutylazanium chloride is [Cl-].[NH3+]C1CCC1.
What is the InChIKey of cyclobutylazanium chloride?
The InChIKey is NFAZOGXQOWEWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.ClH/c5-4-2-1-3-4;/h4H,1-3,5H2;1H.
What are the key properties of cyclobutylazanium chloride?
cyclobutylazanium chloride has a molecular weight of 107.58 g/mol, XLogP of -3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylazanium chloride is sourced from PubChem (CID 53422273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).