N-(2-ethylbutyl)-6-fluoropyridin-2-amine

C11H17FN2 — CID 75355438

IUPACN-(2-ethylbutyl)-6-fluoropyridin-2-amine
SMILESCCC(CC)CNc1cccc(F)n1
InChIInChI=1S/C11H17FN2/c1-3-9(4-2)8-13-11-7-5-6-10(12)14-11/h5-7,9H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyHSQDJXOEHQCIGP-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.07
Rot. Bonds5

About N-(2-ethylbutyl)-6-fluoropyridin-2-amine

N-(2-ethylbutyl)-6-fluoropyridin-2-amine (PubChem CID 75355438) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-(2-ethylbutyl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2-ethylbutyl)-6-fluoropyridin-2-amine
PubChem CID75355438
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-(2-ethylbutyl)-6-fluoropyridin-2-amine
SMILESCCC(CC)CNc1cccc(F)n1
InChIInChI=1S/C11H17FN2/c1-3-9(4-2)8-13-11-7-5-6-10(12)14-11/h5-7,9H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyHSQDJXOEHQCIGP-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
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-(2-ethylbutyl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(2-ethylbutyl)-6-fluoropyridin-2-amine (CID 75355438) is N-(2-ethylbutyl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(2-ethylbutyl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(2-ethylbutyl)-6-fluoropyridin-2-amine is CCC(CC)CNc1cccc(F)n1.
What is the InChIKey of N-(2-ethylbutyl)-6-fluoropyridin-2-amine?
The InChIKey is HSQDJXOEHQCIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-9(4-2)8-13-11-7-5-6-10(12)14-11/h5-7,9H,3-4,8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-ethylbutyl)-6-fluoropyridin-2-amine?
N-(2-ethylbutyl)-6-fluoropyridin-2-amine has a molecular weight of 196.27 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 75355438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).