1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine

C11H13FN2 — CID 104806764

IUPAC1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2/c1-2-3-4-5-10(13)11-7-6-9(12)8-14-11/h6-8,10H,4-5,13H2,1H3
InChIKeyHYKQBGBWBMTGKV-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.02
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine

1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine (PubChem CID 104806764) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine
PubChem CID104806764
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2/c1-2-3-4-5-10(13)11-7-6-9(12)8-14-11/h6-8,10H,4-5,13H2,1H3
InChIKeyHYKQBGBWBMTGKV-UHFFFAOYSA-N
XLogP2.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine
CID 79721767
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
1-(2,5-difluorophenyl)hex-4-yn-1-amine
CID 104805650
2-ethoxy-1-(5-fluoro-2-pyridinyl)ethanamine
CID 68847370
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126144
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 83126002
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 83126711
1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 83126296
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol
CID 83126362
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol
CID 83125861

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine (CID 104806764) is 1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine is CC#CCCC(N)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine?
The InChIKey is HYKQBGBWBMTGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-2-3-4-5-10(13)11-7-6-9(12)8-14-11/h6-8,10H,4-5,13H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine?
1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine has a molecular weight of 192.24 g/mol, XLogP of 2.02, 3 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)hex-4-yn-1-amine is sourced from PubChem (CID 104806764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).