[(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine

C12H19FN2 — CID 70913563

IUPAC[(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine
SMILESC/C=C1/NC(C)=C(F)C(CCC)=C1CN
InChIInChI=1S/C12H19FN2/c1-4-6-9-10(7-14)11(5-2)15-8(3)12(9)13/h5,15H,4,6-7,14H2,1-3H3/b11-5+
InChIKeyQTUJTKWAUNONDW-VZUCSPMQSA-N
MW210.30 g/mol
LogP2.75
Rot. Bonds3

About [(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine

[(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine (PubChem CID 70913563) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is [(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine
PubChem CID70913563
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name[(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine
SMILESC/C=C1/NC(C)=C(F)C(CCC)=C1CN
InChIInChI=1S/C12H19FN2/c1-4-6-9-10(7-14)11(5-2)15-8(3)12(9)13/h5,15H,4,6-7,14H2,1-3H3/b11-5+
InChIKeyQTUJTKWAUNONDW-VZUCSPMQSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine?
The IUPAC name of [(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine (CID 70913563) is [(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine.
What is the SMILES notation for [(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine?
The canonical SMILES for [(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine is C/C=C1/NC(C)=C(F)C(CCC)=C1CN.
What is the InChIKey of [(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine?
The InChIKey is QTUJTKWAUNONDW-VZUCSPMQSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-6-9-10(7-14)11(5-2)15-8(3)12(9)13/h5,15H,4,6-7,14H2,1-3H3/b11-5+.
What are the key properties of [(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine?
[(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine has a molecular weight of 210.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine is sourced from PubChem (CID 70913563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).