1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine

C12H15FN2 — CID 79713467

IUPAC1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine
SMILESC#CCC(NC(C)C)c1ccc(F)cn1
InChIInChI=1S/C12H15FN2/c1-4-5-12(15-9(2)3)11-7-6-10(13)8-14-11/h1,6-9,12,15H,5H2,2-3H3
InChIKeyXEIASUDFPZXUHN-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.28
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine

1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine (PubChem CID 79713467) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine
PubChem CID79713467
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine
SMILESC#CCC(NC(C)C)c1ccc(F)cn1
InChIInChI=1S/C12H15FN2/c1-4-5-12(15-9(2)3)11-7-6-10(13)8-14-11/h1,6-9,12,15H,5H2,2-3H3
InChIKeyXEIASUDFPZXUHN-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-(5-fluoro-2-pyridinyl)-N-propan-2-yldecan-1-amine
CID 79706841
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-3-yn-1-amine
CID 83119612
N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 79712406
N-[1-(5-fluoro-2-pyridinyl)-2-thiophen-2-ylethyl]propan-2-amine
CID 79712298
N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 79712401
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine
CID 79751590
1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
CID 114200966
1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79712685
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103936838

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine (CID 79713467) is 1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine is C#CCC(NC(C)C)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine?
The InChIKey is XEIASUDFPZXUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-4-5-12(15-9(2)3)11-7-6-10(13)8-14-11/h1,6-9,12,15H,5H2,2-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine?
1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine has a molecular weight of 206.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine is sourced from PubChem (CID 79713467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).