5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine

C13H17FN2 — CID 123631226

IUPAC5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine
SMILESC=C(C=C(C)F)CC(N)c1ncccc1C
InChIInChI=1S/C13H17FN2/c1-9(7-11(3)14)8-12(15)13-10(2)5-4-6-16-13/h4-7,12H,1,8,15H2,2-3H3
InChIKeyAWGIJXRJJNXVFB-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.21
Rot. Bonds4

About 5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine

5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine (PubChem CID 123631226) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine.

Molecular Properties

Compound Name5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine
PubChem CID123631226
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine
SMILESC=C(C=C(C)F)CC(N)c1ncccc1C
InChIInChI=1S/C13H17FN2/c1-9(7-11(3)14)8-12(15)13-10(2)5-4-6-16-13/h4-7,12H,1,8,15H2,2-3H3
InChIKeyAWGIJXRJJNXVFB-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(3-methyl-2-pyridinyl)ethanol
CID 55293811
(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530
2-amino-2-(3-methyl-2-pyridinyl)ethanethiol
CID 88739390
(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine
CID 130713891
(1S)-2-cyclopropyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293023
2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol
CID 105110557
(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293686
1-(3-ethyl-2-pyridinyl)-3-methylbut-3-en-1-amine
CID 82730508
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
3-methyl-1-pyrimidin-2-ylbut-3-en-1-amine
CID 79178492
1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 63192413
1-(4-fluoro-2-methylidenepent-3-enyl)-5-methylpyrazole
CID 123694896

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine?
The IUPAC name of 5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine (CID 123631226) is 5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine.
What is the SMILES notation for 5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine?
The canonical SMILES for 5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine is C=C(C=C(C)F)CC(N)c1ncccc1C.
What is the InChIKey of 5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine?
The InChIKey is AWGIJXRJJNXVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-9(7-11(3)14)8-12(15)13-10(2)5-4-6-16-13/h4-7,12H,1,8,15H2,2-3H3.
What are the key properties of 5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine?
5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine has a molecular weight of 220.29 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine is sourced from PubChem (CID 123631226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).