2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine

C13H19BrN2 — CID 105036053

IUPAC2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine
SMILESCC1(C(N)Cc2ccc(Br)cn2)CCCC1
InChIInChI=1S/C13H19BrN2/c1-13(6-2-3-7-13)12(15)8-11-5-4-10(14)9-16-11/h4-5,9,12H,2-3,6-8,15H2,1H3
InChIKeyPLIQVOWBVRPNNP-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.29
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine

2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine (PubChem CID 105036053) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine
PubChem CID105036053
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine
SMILESCC1(C(N)Cc2ccc(Br)cn2)CCCC1
InChIInChI=1S/C13H19BrN2/c1-13(6-2-3-7-13)12(15)8-11-5-4-10(14)9-16-11/h4-5,9,12H,2-3,6-8,15H2,1H3
InChIKeyPLIQVOWBVRPNNP-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 104803081
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclohexyl)ethanamine
CID 106830386
(1S)-1-(1-methylcyclopropyl)-2-pyridin-2-ylethanamine
CID 135132633
2-(5-bromo-2-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767724
2-(5-bromo-2-pyridinyl)-1-(3-methyl-1-adamantyl)ethanamine
CID 105036523
2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol
CID 104800613
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559
2-(5-bromo-2-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190834
[2-(5-bromo-2-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005841
1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104802897

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine (CID 105036053) is 2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine is CC1(C(N)Cc2ccc(Br)cn2)CCCC1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine?
The InChIKey is PLIQVOWBVRPNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-13(6-2-3-7-13)12(15)8-11-5-4-10(14)9-16-11/h4-5,9,12H,2-3,6-8,15H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine?
2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine has a molecular weight of 283.21 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine is sourced from PubChem (CID 105036053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).