1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine

C13H19FN2 — CID 79712711

IUPAC1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine
SMILESCCCNC(C=C(C)C)c1ccc(F)cn1
InChIInChI=1S/C13H19FN2/c1-4-7-15-13(8-10(2)3)12-6-5-11(14)9-16-12/h5-6,8-9,13,15H,4,7H2,1-3H3
InChIKeyFYOUEJKLQFVPLH-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.23
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine

1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine (PubChem CID 79712711) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine
PubChem CID79712711
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine
SMILESCCCNC(C=C(C)C)c1ccc(F)cn1
InChIInChI=1S/C13H19FN2/c1-4-7-15-13(8-10(2)3)12-6-5-11(14)9-16-12/h5-6,8-9,13,15H,4,7H2,1-3H3
InChIKeyFYOUEJKLQFVPLH-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.23
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

1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine
CID 79712819
2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine
CID 83129735
2-[[3-(5-fluoro-2-pyridinyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 83109308
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 83126490
N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713087
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713772
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83125854
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79713195
N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 79713103
N-[(2-fluoro-5-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79712894
N'-[2-(dimethylamino)ethyl]-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83111114
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106645887

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine (CID 79712711) is 1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine is CCCNC(C=C(C)C)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine?
The InChIKey is FYOUEJKLQFVPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-4-7-15-13(8-10(2)3)12-6-5-11(14)9-16-12/h5-6,8-9,13,15H,4,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine?
1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine has a molecular weight of 222.31 g/mol, XLogP of 3.23, 5 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)-3-methyl-N-propylbut-2-en-1-amine is sourced from PubChem (CID 79712711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).