(1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine

C19H25FN2 — CID 146260476

IUPAC(1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine
SMILESC=CC(/C=C\C=C\N(CC)C(=C)C1=CCN(C)C=C1)=C(/C)F
InChIInChI=1S/C19H25FN2/c1-6-18(16(3)20)10-8-9-13-22(7-2)17(4)19-11-14-21(5)15-12-19/h6,8-14H,1,4,7,15H2,2-3,5H3/b10-8-,13-9+,18-16+
InChIKeySWZANVKEQBRUOD-ZXBMVXJFSA-N
MW300.42 g/mol
LogP4.71
Rot. Bonds7

About (1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine

(1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine (PubChem CID 146260476) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is (1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine
PubChem CID146260476
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Name(1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine
SMILESC=CC(/C=C\C=C\N(CC)C(=C)C1=CCN(C)C=C1)=C(/C)F
InChIInChI=1S/C19H25FN2/c1-6-18(16(3)20)10-8-9-13-22(7-2)17(4)19-11-14-21(5)15-12-19/h6,8-14H,1,4,7,15H2,2-3,5H3/b10-8-,13-9+,18-16+
InChIKeySWZANVKEQBRUOD-ZXBMVXJFSA-N
XLogP4.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine (CID 146260476) is (1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine is C=CC(/C=C\C=C\N(CC)C(=C)C1=CCN(C)C=C1)=C(/C)F.
What is the InChIKey of (1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine?
The InChIKey is SWZANVKEQBRUOD-ZXBMVXJFSA-N. The full InChI is InChI=1S/C19H25FN2/c1-6-18(16(3)20)10-8-9-13-22(7-2)17(4)19-11-14-21(5)15-12-19/h6,8-14H,1,4,7,15H2,2-3,5H3/b10-8-,13-9+,18-16+.
What are the key properties of (1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine?
(1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine has a molecular weight of 300.42 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine is sourced from PubChem (CID 146260476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).