3-chlorocyclobutan-1-amine;hydrochloride

C4H9Cl2N — CID 139807884

IUPAC3-chlorocyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Cl)C1
InChIInChI=1S/C4H8ClN.ClH/c5-3-1-4(6)2-3;/h3-4H,1-2,6H2;1H
InChIKeyYHHMRRCMCVJHDJ-UHFFFAOYSA-N
MW142.03 g/mol
LogP1.14
Rot. Bonds

About 3-chlorocyclobutan-1-amine;hydrochloride

3-chlorocyclobutan-1-amine;hydrochloride (PubChem CID 139807884) has the molecular formula C4H9Cl2N and a molecular weight of 142.03 g/mol. Its IUPAC name is 3-chlorocyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-chlorocyclobutan-1-amine;hydrochloride
PubChem CID139807884
Molecular FormulaC4H9Cl2N
Molecular Weight142.03 g/mol
Exact Mass141.01
IUPAC Name3-chlorocyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Cl)C1
InChIInChI=1S/C4H8ClN.ClH/c5-3-1-4(6)2-3;/h3-4H,1-2,6H2;1H
InChIKeyYHHMRRCMCVJHDJ-UHFFFAOYSA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.03
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chlorocyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-chlorocyclobutan-1-amine;hydrochloride (CID 139807884) is 3-chlorocyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-chlorocyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-chlorocyclobutan-1-amine;hydrochloride is Cl.NC1CC(Cl)C1.
What is the InChIKey of 3-chlorocyclobutan-1-amine;hydrochloride?
The InChIKey is YHHMRRCMCVJHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClN.ClH/c5-3-1-4(6)2-3;/h3-4H,1-2,6H2;1H.
What are the key properties of 3-chlorocyclobutan-1-amine;hydrochloride?
3-chlorocyclobutan-1-amine;hydrochloride has a molecular weight of 142.03 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorocyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 139807884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).