5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine

C11H16BrClN2 — CID 63388923

IUPAC5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCCCl)c1ccc(Br)cn1
InChIInChI=1S/C11H16BrClN2/c1-9(2)15(7-3-6-13)11-5-4-10(12)8-14-11/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyMAEBZDQCLMQEET-UHFFFAOYSA-N
MW291.62 g/mol
LogP3.69
Rot. Bonds5

About 5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine

5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 63388923) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
PubChem CID63388923
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCCCl)c1ccc(Br)cn1
InChIInChI=1S/C11H16BrClN2/c1-9(2)15(7-3-6-13)11-5-4-10(12)8-14-11/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyMAEBZDQCLMQEET-UHFFFAOYSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine (CID 63388923) is 5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine is CC(C)N(CCCCl)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is MAEBZDQCLMQEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-9(2)15(7-3-6-13)11-5-4-10(12)8-14-11/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 291.62 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 63388923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).