5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine

C12H17BrN2 — CID 104531564

IUPAC5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine
SMILESCCN(c1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C12H17BrN2/c1-2-15(11-5-3-4-6-11)12-7-10(13)8-14-9-12/h7-9,11H,2-6H2,1H3
InChIKeyFKYASKPAIIBRKN-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.61
Rot. Bonds3

About 5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine

5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine (PubChem CID 104531564) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine
PubChem CID104531564
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine
SMILESCCN(c1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C12H17BrN2/c1-2-15(11-5-3-4-6-11)12-7-10(13)8-14-9-12/h7-9,11H,2-6H2,1H3
InChIKeyFKYASKPAIIBRKN-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclopropyl-N-propylpyridin-3-amine
CID 104531553
2-[(5-bromo-3-pyridinyl)-cyclopropylamino]ethanol
CID 104531645
3-bromo-N-cyclohexyl-N-ethylaniline
CID 146003901
5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 115657325
3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine
CID 62300161
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260
5-bromo-N-cyclohexyl-N-ethyl-4-methylpyridin-2-amine
CID 53410747
5-bromo-N-(1-cyclobutylethyl)-N-methylpyridin-3-amine
CID 130719560
4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine
CID 43540845
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
5-bromo-2-N-cyclopropyl-2-N-ethylpyridine-2,3-diamine
CID 61228482
N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 113423561

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine?
The IUPAC name of 5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine (CID 104531564) is 5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine is CCN(c1cncc(Br)c1)C1CCCC1.
What is the InChIKey of 5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine?
The InChIKey is FKYASKPAIIBRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-2-15(11-5-3-4-6-11)12-7-10(13)8-14-9-12/h7-9,11H,2-6H2,1H3.
What are the key properties of 5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine?
5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine has a molecular weight of 269.19 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine is sourced from PubChem (CID 104531564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).