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

C15H23BrN2 — CID 113455010

IUPAC2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2ccc(Br)cn2)NC)C1
InChIInChI=1S/C15H23BrN2/c1-3-11-4-5-12(8-11)15(17-2)9-14-7-6-13(16)10-18-14/h6-7,10-12,15,17H,3-5,8-9H2,1-2H3
InChIKeyGQYOJJJYTCJCTC-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.80
Rot. Bonds5

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

2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine (PubChem CID 113455010) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
PubChem CID113455010
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2ccc(Br)cn2)NC)C1
InChIInChI=1S/C15H23BrN2/c1-3-11-4-5-12(8-11)15(17-2)9-14-7-6-13(16)10-18-14/h6-7,10-12,15,17H,3-5,8-9H2,1-2H3
InChIKeyGQYOJJJYTCJCTC-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105181039
2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104802480
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine
CID 104802554
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802565
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79740147
N-[1-(3-ethylcyclopentyl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 79740447
2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 65411023
1-cyclopropyl-2-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 63353175
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105036506
[2-(5-bromo-2-pyridinyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265764
2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol
CID 115833225
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine (CID 113455010) is 2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine is CCC1CCC(C(Cc2ccc(Br)cn2)NC)C1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
The InChIKey is GQYOJJJYTCJCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-11-4-5-12(8-11)15(17-2)9-14-7-6-13(16)10-18-14/h6-7,10-12,15,17H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.80, 5 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-(3-ethylcyclopentyl)-N-methylethanamine is sourced from PubChem (CID 113455010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).