3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine

C13H19BrN2 — CID 104800164

IUPAC3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
SMILESNC(CCc1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C13H19BrN2/c14-12-7-10(8-16-9-12)5-6-13(15)11-3-1-2-4-11/h7-9,11,13H,1-6,15H2
InChIKeyZOQYLGKNEKCIIS-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.29
Rot. Bonds4

About 3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine

3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine (PubChem CID 104800164) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
PubChem CID104800164
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
SMILESNC(CCc1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C13H19BrN2/c14-12-7-10(8-16-9-12)5-6-13(15)11-3-1-2-4-11/h7-9,11,13H,1-6,15H2
InChIKeyZOQYLGKNEKCIIS-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine
CID 104810190
3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 104800108
2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
CID 104802475
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
1-(5-bromo-3-pyridinyl)hexan-3-amine
CID 104799822
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
CID 105187569
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190850
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine (CID 104800164) is 3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine is NC(CCc1cncc(Br)c1)C1CCCC1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine?
The InChIKey is ZOQYLGKNEKCIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-12-7-10(8-16-9-12)5-6-13(15)11-3-1-2-4-11/h7-9,11,13H,1-6,15H2.
What are the key properties of 3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine?
3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine has a molecular weight of 283.21 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine is sourced from PubChem (CID 104800164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).