N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine

C11H13FN2 — CID 115896973

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
SMILESCC#CCNC(C)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2/c1-3-4-7-13-9(2)11-6-5-10(12)8-14-11/h5-6,8-9,13H,7H2,1-2H3
InChIKeyFWMRUMSJQJEJSI-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.89
Rot. Bonds3

About N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine (PubChem CID 115896973) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
PubChem CID115896973
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
SMILESCC#CCNC(C)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2/c1-3-4-7-13-9(2)11-6-5-10(12)8-14-11/h5-6,8-9,13H,7H2,1-2H3
InChIKeyFWMRUMSJQJEJSI-UHFFFAOYSA-N
XLogP1.89
TPSA24.92 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 ≤ 51.89
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

N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
N-[1-(5-chloro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 131086161
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-3-yn-1-amine
CID 83119612
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460664
N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 104860557
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
1-(5-fluoro-2-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 103903261

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine (CID 115896973) is N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine is CC#CCNC(C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine?
The InChIKey is FWMRUMSJQJEJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-3-4-7-13-9(2)11-6-5-10(12)8-14-11/h5-6,8-9,13H,7H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine has a molecular weight of 192.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine is sourced from PubChem (CID 115896973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).