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

C14H23BrN2 — CID 105366826

IUPAC3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine
SMILESCCCCCCC(C)Nc1ncc(C)cc1Br
InChIInChI=1S/C14H23BrN2/c1-4-5-6-7-8-12(3)17-14-13(15)9-11(2)10-16-14/h9-10,12H,4-8H2,1-3H3,(H,16,17)
InChIKeyYQXPGHONPYBYRO-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.92
Rot. Bonds7

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

3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine (PubChem CID 105366826) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine
PubChem CID105366826
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine
SMILESCCCCCCC(C)Nc1ncc(C)cc1Br
InChIInChI=1S/C14H23BrN2/c1-4-5-6-7-8-12(3)17-14-13(15)9-11(2)10-16-14/h9-10,12H,4-8H2,1-3H3,(H,16,17)
InChIKeyYQXPGHONPYBYRO-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-octan-2-ylpyridin-3-amine
CID 107584780
3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
CID 105367164
3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine
CID 79534618
3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 114835786
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
CID 65417975
3-N-(3-bromo-5-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357664
N-heptan-2-yl-5-methylpyridazin-3-amine
CID 106549626
6-bromo-N-nonan-2-ylpyridin-3-amine
CID 114051593
2-chloro-5-methyl-N-octan-2-ylpyrimidin-4-amine
CID 79076093
3-bromo-N-heptan-2-yl-4-methyl-5-nitropyridin-2-amine
CID 104507868
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 79532522

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine (CID 105366826) is 3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine is CCCCCCC(C)Nc1ncc(C)cc1Br.
What is the InChIKey of 3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine?
The InChIKey is YQXPGHONPYBYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-5-6-7-8-12(3)17-14-13(15)9-11(2)10-16-14/h9-10,12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine?
3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine has a molecular weight of 299.26 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine is sourced from PubChem (CID 105366826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).