2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine

C13H19BrN2 — CID 104801480

IUPAC2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C13H19BrN2/c1-15-13(11-4-2-3-5-11)7-10-6-12(14)9-16-8-10/h6,8-9,11,13,15H,2-5,7H2,1H3
InChIKeyBVXVIKBMZBSIHE-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.16
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine

2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine (PubChem CID 104801480) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
PubChem CID104801480
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C13H19BrN2/c1-15-13(11-4-2-3-5-11)7-10-6-12(14)9-16-8-10/h6,8-9,11,13,15H,2-5,7H2,1H3
InChIKeyBVXVIKBMZBSIHE-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 104800108
[2-(5-bromo-3-pyridinyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210485
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 104810963
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
[2-(5-bromo-3-pyridinyl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233400
3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine
CID 104810190
3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
CID 104800164
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
CID 104802475
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine (CID 104801480) is 2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine is CNC(Cc1cncc(Br)c1)C1CCCC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine?
The InChIKey is BVXVIKBMZBSIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-15-13(11-4-2-3-5-11)7-10-6-12(14)9-16-8-10/h6,8-9,11,13,15H,2-5,7H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine?
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine has a molecular weight of 283.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine is sourced from PubChem (CID 104801480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).