5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine

C12H18BrN3 — CID 104531843

IUPAC5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
SMILESCN(CC1CCCN1C)c1cncc(Br)c1
InChIInChI=1S/C12H18BrN3/c1-15-5-3-4-11(15)9-16(2)12-6-10(13)7-14-8-12/h6-8,11H,3-5,9H2,1-2H3
InChIKeyFQJMJFZCIOSISY-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.37
Rot. Bonds3

About 5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine

5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine (PubChem CID 104531843) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
PubChem CID104531843
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
SMILESCN(CC1CCCN1C)c1cncc(Br)c1
InChIInChI=1S/C12H18BrN3/c1-15-5-3-4-11(15)9-16(2)12-6-10(13)7-14-8-12/h6-8,11H,3-5,9H2,1-2H3
InChIKeyFQJMJFZCIOSISY-UHFFFAOYSA-N
XLogP2.37
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 115657325
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
CID 104531756
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
N-methyl-N-[[(2S)-1-methylazetidin-2-yl]methyl]pyridin-3-amine
CID 10487961
tert-butyl 2-[[(5-bromo-3-pyridinyl)-methylamino]methyl]azetidine-1-carboxylate
CID 91241009
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 113320651
2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine
CID 80848914
5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 116649014
5-fluoro-3-N-methyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
CID 79304677
[4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol
CID 79319074
5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848913

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine (CID 104531843) is 5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine is CN(CC1CCCN1C)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine?
The InChIKey is FQJMJFZCIOSISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-15-5-3-4-11(15)9-16(2)12-6-10(13)7-14-8-12/h6-8,11H,3-5,9H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine?
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine has a molecular weight of 284.20 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 104531843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).