N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine

C12H19FN2 — CID 79470870

IUPACN-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(CC)c1cccc(F)n1
InChIInChI=1S/C12H19FN2/c1-4-10(3)9-15(5-2)12-8-6-7-11(13)14-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyXSGITGMHBZJUKI-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.09
Rot. Bonds5

About N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine

N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine (PubChem CID 79470870) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine
PubChem CID79470870
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(CC)c1cccc(F)n1
InChIInChI=1S/C12H19FN2/c1-4-10(3)9-15(5-2)12-8-6-7-11(13)14-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyXSGITGMHBZJUKI-UHFFFAOYSA-N
XLogP3.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.09
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 N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine (CID 79470870) is N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine is CCC(C)CN(CC)c1cccc(F)n1.
What is the InChIKey of N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine?
The InChIKey is XSGITGMHBZJUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-10(3)9-15(5-2)12-8-6-7-11(13)14-12/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine?
N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine has a molecular weight of 210.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 79470870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).