1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine

C12H18BrN3 — CID 114869612

IUPAC1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1c1cc(C)c(Br)cn1
InChIInChI=1S/C12H18BrN3/c1-9-6-12(15-8-11(9)13)16-5-3-4-10(16)7-14-2/h6,8,10,14H,3-5,7H2,1-2H3
InChIKeyBEBVMMDLGLGXFS-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.34
Rot. Bonds3

About 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine

1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 114869612) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID114869612
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1c1cc(C)c(Br)cn1
InChIInChI=1S/C12H18BrN3/c1-9-6-12(15-8-11(9)13)16-5-3-4-10(16)7-14-2/h6,8,10,14H,3-5,7H2,1-2H3
InChIKeyBEBVMMDLGLGXFS-UHFFFAOYSA-N
XLogP2.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
(9R,13R)-4-bromo-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409316
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547268
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
2-Amino-5-bromo-4-methylpyridine
CID 817695
1-(2-bromophenyl)-3-[(3R)-1-[4-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea
CID 24768246
1-(2-bromophenyl)-3-[(3R)-1-(5-methylpyridin-2-yl)pyrrolidin-3-yl]urea
CID 24768251
1-(3-Bromopyridin-2-yl)-4-methylpiperazine
CID 12203911
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
(9S,13R)-4-bromo-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409317
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547126
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine
CID 44547127

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine (CID 114869612) is 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1c1cc(C)c(Br)cn1.
What is the InChIKey of 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is BEBVMMDLGLGXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-9-6-12(15-8-11(9)13)16-5-3-4-10(16)7-14-2/h6,8,10,14H,3-5,7H2,1-2H3.
What are the key properties of 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 284.20 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 114869612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).