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

C13H17BrN4 — CID 133398152

IUPAC5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine
SMILESCc1nccn1CCCN(C)c1cncc(Br)c1
InChIInChI=1S/C13H17BrN4/c1-11-16-4-7-18(11)6-3-5-17(2)13-8-12(14)9-15-10-13/h4,7-10H,3,5-6H2,1-2H3
InChIKeyWBEHXKKOYXKGQF-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.88
Rot. Bonds5

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

5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine (PubChem CID 133398152) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine
PubChem CID133398152
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine
SMILESCc1nccn1CCCN(C)c1cncc(Br)c1
InChIInChI=1S/C13H17BrN4/c1-11-16-4-7-18(11)6-3-5-17(2)13-8-12(14)9-15-10-13/h4,7-10H,3,5-6H2,1-2H3
InChIKeyWBEHXKKOYXKGQF-UHFFFAOYSA-N
XLogP2.88
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
CID 104531756
N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133398196
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine
CID 133398160
5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine
CID 133398235
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133398295
N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-6-nitroaniline
CID 133398109
N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-8-nitroisoquinolin-5-amine
CID 133398230
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine
CID 50965256

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine (CID 133398152) is 5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine is Cc1nccn1CCCN(C)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine?
The InChIKey is WBEHXKKOYXKGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-11-16-4-7-18(11)6-3-5-17(2)13-8-12(14)9-15-10-13/h4,7-10H,3,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine?
5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine has a molecular weight of 309.21 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine is sourced from PubChem (CID 133398152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).