N-chlorocyclobutanamine

C4H8ClN — CID 14143514

IUPACN-chlorocyclobutanamine
SMILESClNC1CCC1
InChIInChI=1S/C4H8ClN/c5-6-4-2-1-3-4/h4,6H,1-3H2
InChIKeyWTHCYEIZBUAKPG-UHFFFAOYSA-N
MW105.57 g/mol
LogP1.28
Rot. Bonds1

About N-chlorocyclobutanamine

N-chlorocyclobutanamine (PubChem CID 14143514) has the molecular formula C4H8ClN and a molecular weight of 105.57 g/mol. Its IUPAC name is N-chlorocyclobutanamine.

Molecular Properties

Compound NameN-chlorocyclobutanamine
PubChem CID14143514
Molecular FormulaC4H8ClN
Molecular Weight105.57 g/mol
Exact Mass105.03
IUPAC NameN-chlorocyclobutanamine
SMILESClNC1CCC1
InChIInChI=1S/C4H8ClN/c5-6-4-2-1-3-4/h4,6H,1-3H2
InChIKeyWTHCYEIZBUAKPG-UHFFFAOYSA-N
XLogP1.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.57
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chlorocyclobutanamine?
The IUPAC name of N-chlorocyclobutanamine (CID 14143514) is N-chlorocyclobutanamine.
What is the SMILES notation for N-chlorocyclobutanamine?
The canonical SMILES for N-chlorocyclobutanamine is ClNC1CCC1.
What is the InChIKey of N-chlorocyclobutanamine?
The InChIKey is WTHCYEIZBUAKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClN/c5-6-4-2-1-3-4/h4,6H,1-3H2.
What are the key properties of N-chlorocyclobutanamine?
N-chlorocyclobutanamine has a molecular weight of 105.57 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chlorocyclobutanamine is sourced from PubChem (CID 14143514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).