1-(bromomethyl)cyclopentan-1-amine;hydrobromide

C6H13Br2N — CID 518854

IUPAC1-(bromomethyl)cyclopentan-1-amine;hydrobromide
SMILESBr.NC1(CBr)CCCC1
InChIInChI=1S/C6H12BrN.BrH/c7-5-6(8)3-1-2-4-6;/h1-5,8H2;1H
InChIKeyGOTBXERRSOKTEE-UHFFFAOYSA-N
MW258.98 g/mol
LogP2.23
Rot. Bonds1

About 1-(bromomethyl)cyclopentan-1-amine;hydrobromide

1-(bromomethyl)cyclopentan-1-amine;hydrobromide (PubChem CID 518854) has the molecular formula C6H13Br2N and a molecular weight of 258.98 g/mol. Its IUPAC name is 1-(bromomethyl)cyclopentan-1-amine;hydrobromide.

Molecular Properties

Compound Name1-(bromomethyl)cyclopentan-1-amine;hydrobromide
PubChem CID518854
Molecular FormulaC6H13Br2N
Molecular Weight258.98 g/mol
Exact Mass256.94
IUPAC Name1-(bromomethyl)cyclopentan-1-amine;hydrobromide
SMILESBr.NC1(CBr)CCCC1
InChIInChI=1S/C6H12BrN.BrH/c7-5-6(8)3-1-2-4-6;/h1-5,8H2;1H
InChIKeyGOTBXERRSOKTEE-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.98
LogP ≤ 52.23
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;hydrobromide?
The IUPAC name of 1-(bromomethyl)cyclopentan-1-amine;hydrobromide (CID 518854) is 1-(bromomethyl)cyclopentan-1-amine;hydrobromide.
What is the SMILES notation for 1-(bromomethyl)cyclopentan-1-amine;hydrobromide?
The canonical SMILES for 1-(bromomethyl)cyclopentan-1-amine;hydrobromide is Br.NC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)cyclopentan-1-amine;hydrobromide?
The InChIKey is GOTBXERRSOKTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrN.BrH/c7-5-6(8)3-1-2-4-6;/h1-5,8H2;1H.
What are the key properties of 1-(bromomethyl)cyclopentan-1-amine;hydrobromide?
1-(bromomethyl)cyclopentan-1-amine;hydrobromide has a molecular weight of 258.98 g/mol, XLogP of 2.23, 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;hydrobromide is sourced from PubChem (CID 518854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).