2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine

C13H19FN2 — CID 83128332

IUPAC2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1c1ccc(F)cn1
InChIInChI=1S/C13H19FN2/c1-4-13(2)10(7-12(13)15-3)11-6-5-9(14)8-16-11/h5-6,8,10,12,15H,4,7H2,1-3H3
InChIKeyOAEQCTZVDWTGJA-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.71
Rot. Bonds3

About 2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine

2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine (PubChem CID 83128332) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine
PubChem CID83128332
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1c1ccc(F)cn1
InChIInChI=1S/C13H19FN2/c1-4-13(2)10(7-12(13)15-3)11-6-5-9(14)8-16-11/h5-6,8,10,12,15H,4,7H2,1-3H3
InChIKeyOAEQCTZVDWTGJA-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine (CID 83128332) is 2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1c1ccc(F)cn1.
What is the InChIKey of 2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine?
The InChIKey is OAEQCTZVDWTGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-4-13(2)10(7-12(13)15-3)11-6-5-9(14)8-16-11/h5-6,8,10,12,15H,4,7H2,1-3H3.
What are the key properties of 2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine?
2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 83128332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).