5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine

C11H17BrN2 — CID 115657067

IUPAC5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine
SMILESCCCC(C)N(C)c1cncc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-4-5-9(2)14(3)11-6-10(12)7-13-8-11/h6-9H,4-5H2,1-3H3
InChIKeySKQVGRYOKZFISW-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.47
Rot. Bonds4

About 5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine

5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine (PubChem CID 115657067) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine
PubChem CID115657067
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine
SMILESCCCC(C)N(C)c1cncc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-4-5-9(2)14(3)11-6-10(12)7-13-8-11/h6-9H,4-5H2,1-3H3
InChIKeySKQVGRYOKZFISW-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine
CID 115657240
3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile
CID 104531758
5-bromo-N-propan-2-yl-N-propylpyridin-3-amine
CID 104531552
3-bromo-5-[methyl(pentan-2-yl)amino]benzonitrile
CID 102815422
5-bromo-N-(1-cyclobutylethyl)-N-methylpyridin-3-amine
CID 130719560
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
CID 104531747
5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62283114
N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide
CID 129392312
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
2-bromo-4-[methyl(pentan-2-yl)amino]benzonitrile
CID 107275971
5-bromo-N-cyclopropyl-N-propylpyridin-3-amine
CID 104531553
1-(5-bromo-3-pyridinyl)butylhydrazine
CID 105251041

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine?
The IUPAC name of 5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine (CID 115657067) is 5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine is CCCC(C)N(C)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine?
The InChIKey is SKQVGRYOKZFISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-4-5-9(2)14(3)11-6-10(12)7-13-8-11/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine?
5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine has a molecular weight of 257.17 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine is sourced from PubChem (CID 115657067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).