(Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine

C19H25FN2 — CID 89221559

IUPAC(Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine
SMILESC=CCC(CCCC)c1ccc(C(=C)/N=C/C=C\N)cc1F
InChIInChI=1S/C19H25FN2/c1-4-6-9-16(8-5-2)18-11-10-17(14-19(18)20)15(3)22-13-7-12-21/h5,7,10-14,16H,2-4,6,8-9,21H2,1H3/b12-7-,22-13+
InChIKeyOGDCIRPYFPXHAO-SANCIQFBSA-N
MW300.42 g/mol
LogP5.19
Rot. Bonds9

About (Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine

(Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine (PubChem CID 89221559) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is (Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine
PubChem CID89221559
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Name(Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine
SMILESC=CCC(CCCC)c1ccc(C(=C)/N=C/C=C\N)cc1F
InChIInChI=1S/C19H25FN2/c1-4-6-9-16(8-5-2)18-11-10-17(14-19(18)20)15(3)22-13-7-12-21/h5,7,10-14,16H,2-4,6,8-9,21H2,1H3/b12-7-,22-13+
InChIKeyOGDCIRPYFPXHAO-SANCIQFBSA-N
XLogP5.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.42
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine?
The IUPAC name of (Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine (CID 89221559) is (Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine is C=CCC(CCCC)c1ccc(C(=C)/N=C/C=C\N)cc1F.
What is the InChIKey of (Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine?
The InChIKey is OGDCIRPYFPXHAO-SANCIQFBSA-N. The full InChI is InChI=1S/C19H25FN2/c1-4-6-9-16(8-5-2)18-11-10-17(14-19(18)20)15(3)22-13-7-12-21/h5,7,10-14,16H,2-4,6,8-9,21H2,1H3/b12-7-,22-13+.
What are the key properties of (Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine?
(Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine has a molecular weight of 300.42 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine is sourced from PubChem (CID 89221559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).