3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine

C13H19FN2 — CID 112586884

IUPAC3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine
SMILESCNC1C(C)C(c2ccc(F)cn2)C1(C)C
InChIInChI=1S/C13H19FN2/c1-8-11(13(2,3)12(8)15-4)10-6-5-9(14)7-16-10/h5-8,11-12,15H,1-4H3
InChIKeyBKJTYWSJAOQATM-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.57
Rot. Bonds2

About 3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine

3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine (PubChem CID 112586884) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine
PubChem CID112586884
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine
SMILESCNC1C(C)C(c2ccc(F)cn2)C1(C)C
InChIInChI=1S/C13H19FN2/c1-8-11(13(2,3)12(8)15-4)10-6-5-9(14)7-16-10/h5-8,11-12,15H,1-4H3
InChIKeyBKJTYWSJAOQATM-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine (CID 112586884) is 3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine is CNC1C(C)C(c2ccc(F)cn2)C1(C)C.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine?
The InChIKey is BKJTYWSJAOQATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-8-11(13(2,3)12(8)15-4)10-6-5-9(14)7-16-10/h5-8,11-12,15H,1-4H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine?
3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-N,2,2,4-tetramethylcyclobutan-1-amine is sourced from PubChem (CID 112586884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).