1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine

C12H17FN2 — CID 116661087

IUPAC1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1cncc(F)c1
InChIInChI=1S/C12H17FN2/c1-3-5-12(15-6-4-2)10-7-11(13)9-14-8-10/h3,7-9,12,15H,1,4-6H2,2H3
InChIKeyVIJRUJJVYXFGJF-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.84
Rot. Bonds6

About 1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine

1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine (PubChem CID 116661087) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine
PubChem CID116661087
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1cncc(F)c1
InChIInChI=1S/C12H17FN2/c1-3-5-12(15-6-4-2)10-7-11(13)9-14-8-10/h3,7-9,12,15H,1,4-6H2,2H3
InChIKeyVIJRUJJVYXFGJF-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115804158
1-(5-fluoro-3-pyridinyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105102311
1-(2,6-dimethyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 107503998
N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine
CID 105153078
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113863
1-(3,5-dichlorophenyl)-N-propylbut-3-en-1-amine
CID 115815027
1-(3,5-dibromophenyl)-N-propylbut-3-en-1-amine
CID 107973949
1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
CID 63717242
1-(2-bromo-5-fluorophenyl)-N-propylbut-3-en-1-amine
CID 115815047
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105167116
N-[1-(5-fluoro-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 62798649

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine (CID 116661087) is 1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine?
The InChIKey is VIJRUJJVYXFGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-3-5-12(15-6-4-2)10-7-11(13)9-14-8-10/h3,7-9,12,15H,1,4-6H2,2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine?
1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine has a molecular weight of 208.28 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 116661087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).