1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine

C11H15FN2 — CID 79712819

IUPAC1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1ccc(F)cn1
InChIInChI=1S/C11H15FN2/c1-8(2)6-11(13-3)10-5-4-9(12)7-14-10/h4-7,11,13H,1-3H3
InChIKeyBNMANZMLZISVQH-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.45
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine

1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 79712819) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine
PubChem CID79712819
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1ccc(F)cn1
InChIInChI=1S/C11H15FN2/c1-8(2)6-11(13-3)10-5-4-9(12)7-14-10/h4-7,11,13H,1-3H3
InChIKeyBNMANZMLZISVQH-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.45
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)-3-methyl-N-propylbut-2-en-1-amine
CID 79712711
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79712685
(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid
CID 167014812
methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
CID 131354217
1-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712535
2-(5-fluoro-2-pyridinyl)-4-methylpentan-3-ol
CID 83128846
3-(5-fluoro-2-pyridinyl)-4-methylpentan-2-ol
CID 63200803
[1-(4-fluorophenyl)-3-methylbut-2-enyl]hydrazine
CID 105192857
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688577
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
1-(5-fluoro-2-pyridinyl)ethylurea
CID 140688353

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine (CID 79712819) is 1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine is CNC(C=C(C)C)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is BNMANZMLZISVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-8(2)6-11(13-3)10-5-4-9(12)7-14-10/h4-7,11,13H,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine?
1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 194.25 g/mol, XLogP of 2.45, 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)-N,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 79712819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).