5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine

C13H17BrN2 — CID 106173773

IUPAC5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(NCCC2=CCCC2)ncc1Br
InChIInChI=1S/C13H17BrN2/c1-10-8-13(16-9-12(10)14)15-7-6-11-4-2-3-5-11/h4,8-9H,2-3,5-7H2,1H3,(H,15,16)
InChIKeyLEUCYOLDIHOQFC-UHFFFAOYSA-N
MW281.20 g/mol
LogP4.06
Rot. Bonds4

About 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine

5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine (PubChem CID 106173773) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine
PubChem CID106173773
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(NCCC2=CCCC2)ncc1Br
InChIInChI=1S/C13H17BrN2/c1-10-8-13(16-9-12(10)14)15-7-6-11-4-2-3-5-11/h4,8-9H,2-3,5-7H2,1H3,(H,15,16)
InChIKeyLEUCYOLDIHOQFC-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine
CID 103844172
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine
CID 106197318
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 112854487
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
CID 113340028
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
CID 104925005
5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 115774111

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine (CID 106173773) is 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine is Cc1cc(NCCC2=CCCC2)ncc1Br.
What is the InChIKey of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine?
The InChIKey is LEUCYOLDIHOQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-10-8-13(16-9-12(10)14)15-7-6-11-4-2-3-5-11/h4,8-9H,2-3,5-7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine?
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine has a molecular weight of 281.20 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 106173773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).