2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine

C13H21FN2 — CID 83124633

IUPAC2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine
SMILESCC(C)(C)CCC(C)(N)c1ccc(F)cn1
InChIInChI=1S/C13H21FN2/c1-12(2,3)7-8-13(4,15)11-6-5-10(14)9-16-11/h5-6,9H,7-8,15H2,1-4H3
InChIKeyCEVXOQBYNJIJNW-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.22
Rot. Bonds3

About 2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine

2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine (PubChem CID 83124633) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine
PubChem CID83124633
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine
SMILESCC(C)(C)CCC(C)(N)c1ccc(F)cn1
InChIInChI=1S/C13H21FN2/c1-12(2,3)7-8-13(4,15)11-6-5-10(14)9-16-11/h5-6,9H,7-8,15H2,1-4H3
InChIKeyCEVXOQBYNJIJNW-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine (CID 83124633) is 2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine is CC(C)(C)CCC(C)(N)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine?
The InChIKey is CEVXOQBYNJIJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-12(2,3)7-8-13(4,15)11-6-5-10(14)9-16-11/h5-6,9H,7-8,15H2,1-4H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine?
2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine has a molecular weight of 224.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 83124633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).