(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine

C19H27FN2 — CID 137465238

IUPAC(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
SMILESC=C/C(=C\C(=C)F)CNC(=C)C/C(C)=C/N=C(C)/C(C)=C/C
InChIInChI=1S/C19H27FN2/c1-8-15(4)18(7)22-12-14(3)10-17(6)21-13-19(9-2)11-16(5)20/h8-9,11-12,21H,2,5-6,10,13H2,1,3-4,7H3/b14-12+,15-8+,19-11+,22-18+
InChIKeyRGMJSDPBSJMIOD-HBHGSAABSA-N
MW302.44 g/mol
LogP5.41
Rot. Bonds9

About (2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine

(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine (PubChem CID 137465238) has the molecular formula C19H27FN2 and a molecular weight of 302.44 g/mol. Its IUPAC name is (2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
PubChem CID137465238
Molecular FormulaC19H27FN2
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC Name(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
SMILESC=C/C(=C\C(=C)F)CNC(=C)C/C(C)=C/N=C(C)/C(C)=C/C
InChIInChI=1S/C19H27FN2/c1-8-15(4)18(7)22-12-14(3)10-17(6)21-13-19(9-2)11-16(5)20/h8-9,11-12,21H,2,5-6,10,13H2,1,3-4,7H3/b14-12+,15-8+,19-11+,22-18+
InChIKeyRGMJSDPBSJMIOD-HBHGSAABSA-N
XLogP5.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine (CID 137465238) is (2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine is C=C/C(=C\C(=C)F)CNC(=C)C/C(C)=C/N=C(C)/C(C)=C/C.
What is the InChIKey of (2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine?
The InChIKey is RGMJSDPBSJMIOD-HBHGSAABSA-N. The full InChI is InChI=1S/C19H27FN2/c1-8-15(4)18(7)22-12-14(3)10-17(6)21-13-19(9-2)11-16(5)20/h8-9,11-12,21H,2,5-6,10,13H2,1,3-4,7H3/b14-12+,15-8+,19-11+,22-18+.
What are the key properties of (2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine?
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine has a molecular weight of 302.44 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine is sourced from PubChem (CID 137465238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).