5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine

C12H19BrN2 — CID 115657240

IUPAC5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine
SMILESCC(C)CC(C)N(C)c1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-9(2)5-10(3)15(4)12-6-11(13)7-14-8-12/h6-10H,5H2,1-4H3
InChIKeyIVLYVMFHEDCZSM-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.71
Rot. Bonds4

About 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine

5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine (PubChem CID 115657240) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine
PubChem CID115657240
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine
SMILESCC(C)CC(C)N(C)c1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-9(2)5-10(3)15(4)12-6-11(13)7-14-8-12/h6-10H,5H2,1-4H3
InChIKeyIVLYVMFHEDCZSM-UHFFFAOYSA-N
XLogP3.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine
CID 115657067
3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile
CID 104531758
5-bromo-N-propan-2-yl-N-propylpyridin-3-amine
CID 104531552
5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104533765
5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 63872878
5-bromo-N-(1-cyclobutylethyl)-N-methylpyridin-3-amine
CID 130719560
N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine
CID 115596591
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
CID 104531747
3-bromo-N,5-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105367831
3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114836921
2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 104531665
1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol
CID 82971146

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine (CID 115657240) is 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine is CC(C)CC(C)N(C)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine?
The InChIKey is IVLYVMFHEDCZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-9(2)5-10(3)15(4)12-6-11(13)7-14-8-12/h6-10H,5H2,1-4H3.
What are the key properties of 5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine?
5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine has a molecular weight of 271.20 g/mol, XLogP of 3.71, 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-(4-methylpentan-2-yl)pyridin-3-amine is sourced from PubChem (CID 115657240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).