1-(bromomethyl)cyclopentan-1-amine

C6H12BrN — CID 518855

IUPAC1-(bromomethyl)cyclopentan-1-amine
SMILESNC1(CBr)CCCC1
InChIInChI=1S/C6H12BrN/c7-5-6(8)3-1-2-4-6/h1-5,8H2
InChIKeyGFVIXXUJYKWSRV-UHFFFAOYSA-N
MW178.07 g/mol
LogP1.65
Rot. Bonds1

About 1-(bromomethyl)cyclopentan-1-amine

1-(bromomethyl)cyclopentan-1-amine (PubChem CID 518855) has the molecular formula C6H12BrN and a molecular weight of 178.07 g/mol. Its IUPAC name is 1-(bromomethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(bromomethyl)cyclopentan-1-amine
PubChem CID518855
Molecular FormulaC6H12BrN
Molecular Weight178.07 g/mol
Exact Mass177.02
IUPAC Name1-(bromomethyl)cyclopentan-1-amine
SMILESNC1(CBr)CCCC1
InChIInChI=1S/C6H12BrN/c7-5-6(8)3-1-2-4-6/h1-5,8H2
InChIKeyGFVIXXUJYKWSRV-UHFFFAOYSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 51.65
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 1-(bromomethyl)cyclopentan-1-amine?
The IUPAC name of 1-(bromomethyl)cyclopentan-1-amine (CID 518855) is 1-(bromomethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(bromomethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(bromomethyl)cyclopentan-1-amine is NC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)cyclopentan-1-amine?
The InChIKey is GFVIXXUJYKWSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrN/c7-5-6(8)3-1-2-4-6/h1-5,8H2.
What are the key properties of 1-(bromomethyl)cyclopentan-1-amine?
1-(bromomethyl)cyclopentan-1-amine has a molecular weight of 178.07 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)cyclopentan-1-amine is sourced from PubChem (CID 518855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).