6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine

C11H17FN2 — CID 61230139

IUPAC6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1cccc(F)n1
InChIInChI=1S/C11H17FN2/c1-4-9(5-2)14(3)11-8-6-7-10(12)13-11/h6-9H,4-5H2,1-3H3
InChIKeyWZOZLKLWUIKWIB-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.85
Rot. Bonds4

About 6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine

6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine (PubChem CID 61230139) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine
PubChem CID61230139
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1cccc(F)n1
InChIInChI=1S/C11H17FN2/c1-4-9(5-2)14(3)11-8-6-7-10(12)13-11/h6-9H,4-5H2,1-3H3
InChIKeyWZOZLKLWUIKWIB-UHFFFAOYSA-N
XLogP2.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine (CID 61230139) is 6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(C)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine?
The InChIKey is WZOZLKLWUIKWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-4-9(5-2)14(3)11-8-6-7-10(12)13-11/h6-9H,4-5H2,1-3H3.
What are the key properties of 6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine?
6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine has a molecular weight of 196.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 61230139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).