3-fluoro-N-octan-4-ylpyridin-2-amine

C13H21FN2 — CID 106026370

IUPAC3-fluoro-N-octan-4-ylpyridin-2-amine
SMILESCCCCC(CCC)Nc1ncccc1F
InChIInChI=1S/C13H21FN2/c1-3-5-8-11(7-4-2)16-13-12(14)9-6-10-15-13/h6,9-11H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyDXNKIJRAMVZQPQ-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.99
Rot. Bonds7

About 3-fluoro-N-octan-4-ylpyridin-2-amine

3-fluoro-N-octan-4-ylpyridin-2-amine (PubChem CID 106026370) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-fluoro-N-octan-4-ylpyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-octan-4-ylpyridin-2-amine
PubChem CID106026370
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name3-fluoro-N-octan-4-ylpyridin-2-amine
SMILESCCCCC(CCC)Nc1ncccc1F
InChIInChI=1S/C13H21FN2/c1-3-5-8-11(7-4-2)16-13-12(14)9-6-10-15-13/h6,9-11H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyDXNKIJRAMVZQPQ-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(octan-4-ylamino)pyridine-3-carboxamide
CID 113249998
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
3-methyl-N-octan-4-ylpyrazin-2-amine
CID 106026404
3-N-octan-4-ylpyridine-2,3-diamine
CID 106022702
3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 62732858
7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
CID 106022412
3-fluoro-N-propan-2-ylpyridin-2-amine
CID 62733783
5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028826
N-octan-4-ylaniline
CID 12779854
5-N-octan-4-ylquinoline-5,8-diamine
CID 106022461
N-[(2,6-difluorophenyl)methyl]octan-4-amine
CID 106023231
2-[(3-fluoro-2-pyridinyl)amino]-N-propylpropanamide
CID 62733234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-octan-4-ylpyridin-2-amine?
The IUPAC name of 3-fluoro-N-octan-4-ylpyridin-2-amine (CID 106026370) is 3-fluoro-N-octan-4-ylpyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-octan-4-ylpyridin-2-amine?
The canonical SMILES for 3-fluoro-N-octan-4-ylpyridin-2-amine is CCCCC(CCC)Nc1ncccc1F.
What is the InChIKey of 3-fluoro-N-octan-4-ylpyridin-2-amine?
The InChIKey is DXNKIJRAMVZQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-3-5-8-11(7-4-2)16-13-12(14)9-6-10-15-13/h6,9-11H,3-5,7-8H2,1-2H3,(H,15,16).
What are the key properties of 3-fluoro-N-octan-4-ylpyridin-2-amine?
3-fluoro-N-octan-4-ylpyridin-2-amine has a molecular weight of 224.32 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-octan-4-ylpyridin-2-amine is sourced from PubChem (CID 106026370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).