2-bromocyclopentan-1-amine;hydrobromide

C5H11Br2N — CID 71755767

IUPAC2-bromocyclopentan-1-amine;hydrobromide
SMILESBr.NC1CCCC1Br
InChIInChI=1S/C5H10BrN.BrH/c6-4-2-1-3-5(4)7;/h4-5H,1-3,7H2;1H
InChIKeyXROFQBFAFKJQIT-UHFFFAOYSA-N
MW244.96 g/mol
LogP1.84
Rot. Bonds

About 2-bromocyclopentan-1-amine;hydrobromide

2-bromocyclopentan-1-amine;hydrobromide (PubChem CID 71755767) has the molecular formula C5H11Br2N and a molecular weight of 244.96 g/mol. Its IUPAC name is 2-bromocyclopentan-1-amine;hydrobromide.

Molecular Properties

Compound Name2-bromocyclopentan-1-amine;hydrobromide
PubChem CID71755767
Molecular FormulaC5H11Br2N
Molecular Weight244.96 g/mol
Exact Mass242.93
IUPAC Name2-bromocyclopentan-1-amine;hydrobromide
SMILESBr.NC1CCCC1Br
InChIInChI=1S/C5H10BrN.BrH/c6-4-2-1-3-5(4)7;/h4-5H,1-3,7H2;1H
InChIKeyXROFQBFAFKJQIT-UHFFFAOYSA-N
XLogP1.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.96
LogP ≤ 51.84
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 2-bromocyclopentan-1-amine;hydrobromide?
The IUPAC name of 2-bromocyclopentan-1-amine;hydrobromide (CID 71755767) is 2-bromocyclopentan-1-amine;hydrobromide.
What is the SMILES notation for 2-bromocyclopentan-1-amine;hydrobromide?
The canonical SMILES for 2-bromocyclopentan-1-amine;hydrobromide is Br.NC1CCCC1Br.
What is the InChIKey of 2-bromocyclopentan-1-amine;hydrobromide?
The InChIKey is XROFQBFAFKJQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrN.BrH/c6-4-2-1-3-5(4)7;/h4-5H,1-3,7H2;1H.
What are the key properties of 2-bromocyclopentan-1-amine;hydrobromide?
2-bromocyclopentan-1-amine;hydrobromide has a molecular weight of 244.96 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromocyclopentan-1-amine;hydrobromide is sourced from PubChem (CID 71755767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).