[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine

C12H18BrN3 — CID 102784195

IUPAC[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine
SMILESCc1cnc(N2CCC(C)C2CN)c(Br)c1
InChIInChI=1S/C12H18BrN3/c1-8-5-10(13)12(15-7-8)16-4-3-9(2)11(16)6-14/h5,7,9,11H,3-4,6,14H2,1-2H3
InChIKeyMHTLNFZKAKIITF-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.33
Rot. Bonds2

About [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine

[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine (PubChem CID 102784195) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine
PubChem CID102784195
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine
SMILESCc1cnc(N2CCC(C)C2CN)c(Br)c1
InChIInChI=1S/C12H18BrN3/c1-8-5-10(13)12(15-7-8)16-4-3-9(2)11(16)6-14/h5,7,9,11H,3-4,6,14H2,1-2H3
InChIKeyMHTLNFZKAKIITF-UHFFFAOYSA-N
XLogP2.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine
CID 105367345
3-bromo-5-methyl-2-(2-methylpyrrolidin-1-yl)pyridine
CID 105367577
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 105367346
1-(3-bromo-5-methyl-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 105367974
[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine
CID 102783955
[3-methyl-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 102784171
5-bromo-2-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-4-methylpyridine
CID 102786240
2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine
CID 82167516
[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 102783996
1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131165420
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine (CID 102784195) is [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine is Cc1cnc(N2CCC(C)C2CN)c(Br)c1.
What is the InChIKey of [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine?
The InChIKey is MHTLNFZKAKIITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8-5-10(13)12(15-7-8)16-4-3-9(2)11(16)6-14/h5,7,9,11H,3-4,6,14H2,1-2H3.
What are the key properties of [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine?
[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine has a molecular weight of 284.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102784195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).