N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine

C13H17BrF3N3 — CID 106796576

IUPACN-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ncc(Br)cc1C(F)(F)F)C1CCCC1CN
InChIInChI=1S/C13H17BrF3N3/c1-20(11-4-2-3-8(11)6-18)12-10(13(15,16)17)5-9(14)7-19-12/h5,7-8,11H,2-4,6,18H2,1H3
InChIKeyHQCACKFRJPDBAY-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.43
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine

N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796576) has the molecular formula C13H17BrF3N3 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796576
Molecular FormulaC13H17BrF3N3
Molecular Weight352.20 g/mol
Exact Mass351.06
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ncc(Br)cc1C(F)(F)F)C1CCCC1CN
InChIInChI=1S/C13H17BrF3N3/c1-20(11-4-2-3-8(11)6-18)12-10(13(15,16)17)5-9(14)7-19-12/h5,7-8,11H,2-4,6,18H2,1H3
InChIKeyHQCACKFRJPDBAY-UHFFFAOYSA-N
XLogP3.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 106796748
[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine
CID 106796845
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79717512
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine
CID 79524147
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 106796746
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796664
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine
CID 106540789
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]butanethioamide
CID 106795818
5-bromo-2-N-cyclopentyl-2-N-methylpyridine-2,3-diamine
CID 61228674
5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796659
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299
2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635970

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine (CID 106796576) is N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine is CN(c1ncc(Br)cc1C(F)(F)F)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HQCACKFRJPDBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF3N3/c1-20(11-4-2-3-8(11)6-18)12-10(13(15,16)17)5-9(14)7-19-12/h5,7-8,11H,2-4,6,18H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 352.20 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).