1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide

C9H19Br2N — CID 70516123

IUPAC1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide
SMILESBr.NC1(CCCCBr)CCCC1
InChIInChI=1S/C9H18BrN.BrH/c10-8-4-3-7-9(11)5-1-2-6-9;/h1-8,11H2;1H
InChIKeyJBYKCMNICZNDKO-UHFFFAOYSA-N
MW301.07 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide

1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide (PubChem CID 70516123) has the molecular formula C9H19Br2N and a molecular weight of 301.07 g/mol. Its IUPAC name is 1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide.

Molecular Properties

Compound Name1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide
PubChem CID70516123
Molecular FormulaC9H19Br2N
Molecular Weight301.07 g/mol
Exact Mass298.99
IUPAC Name1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide
SMILESBr.NC1(CCCCBr)CCCC1
InChIInChI=1S/C9H18BrN.BrH/c10-8-4-3-7-9(11)5-1-2-6-9;/h1-8,11H2;1H
InChIKeyJBYKCMNICZNDKO-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide?
The IUPAC name of 1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide (CID 70516123) is 1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide.
What is the SMILES notation for 1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide?
The canonical SMILES for 1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide is Br.NC1(CCCCBr)CCCC1.
What is the InChIKey of 1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide?
The InChIKey is JBYKCMNICZNDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrN.BrH/c10-8-4-3-7-9(11)5-1-2-6-9;/h1-8,11H2;1H.
What are the key properties of 1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide?
1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide has a molecular weight of 301.07 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)cyclopentan-1-amine;hydrobromide is sourced from PubChem (CID 70516123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).