5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine

C11H17BrN2O — CID 103915135

IUPAC5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine
SMILESCOCCCN(C)c1ccc(Br)c(C)n1
InChIInChI=1S/C11H17BrN2O/c1-9-10(12)5-6-11(13-9)14(2)7-4-8-15-3/h5-6H,4,7-8H2,1-3H3
InChIKeyQXGKZMLRZPNCTB-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.63
Rot. Bonds5

About 5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine

5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine (PubChem CID 103915135) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine
PubChem CID103915135
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine
SMILESCOCCCN(C)c1ccc(Br)c(C)n1
InChIInChI=1S/C11H17BrN2O/c1-9-10(12)5-6-11(13-9)14(2)7-4-8-15-3/h5-6H,4,7-8H2,1-3H3
InChIKeyQXGKZMLRZPNCTB-UHFFFAOYSA-N
XLogP2.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine (CID 103915135) is 5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine is COCCCN(C)c1ccc(Br)c(C)n1.
What is the InChIKey of 5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine?
The InChIKey is QXGKZMLRZPNCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-9-10(12)5-6-11(13-9)14(2)7-4-8-15-3/h5-6H,4,7-8H2,1-3H3.
What are the key properties of 5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine?
5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine has a molecular weight of 273.17 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 103915135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).