(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine

C17H19FN2 — CID 121321882

IUPAC(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
SMILESC=C/C(F)=C\C=C(/C)c1cc/c(=C/C=C\CN)c(=C)n1
InChIInChI=1S/C17H19FN2/c1-4-16(18)10-8-13(2)17-11-9-15(14(3)20-17)7-5-6-12-19/h4-11H,1,3,12,19H2,2H3/b6-5-,13-8+,15-7-,16-10+
InChIKeyZTRYVDAVDCQQQF-RUAJWXKMSA-N
MW270.35 g/mol
LogP2.23
Rot. Bonds5

About (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine

(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine (PubChem CID 121321882) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine.

Molecular Properties

Compound Name(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
PubChem CID121321882
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
SMILESC=C/C(F)=C\C=C(/C)c1cc/c(=C/C=C\CN)c(=C)n1
InChIInChI=1S/C17H19FN2/c1-4-16(18)10-8-13(2)17-11-9-15(14(3)20-17)7-5-6-12-19/h4-11H,1,3,12,19H2,2H3/b6-5-,13-8+,15-7-,16-10+
InChIKeyZTRYVDAVDCQQQF-RUAJWXKMSA-N
XLogP2.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
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 (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine?
The IUPAC name of (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine (CID 121321882) is (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine.
What is the SMILES notation for (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine?
The canonical SMILES for (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine is C=C/C(F)=C\C=C(/C)c1cc/c(=C/C=C\CN)c(=C)n1.
What is the InChIKey of (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine?
The InChIKey is ZTRYVDAVDCQQQF-RUAJWXKMSA-N. The full InChI is InChI=1S/C17H19FN2/c1-4-16(18)10-8-13(2)17-11-9-15(14(3)20-17)7-5-6-12-19/h4-11H,1,3,12,19H2,2H3/b6-5-,13-8+,15-7-,16-10+.
What are the key properties of (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine?
(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine has a molecular weight of 270.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine is sourced from PubChem (CID 121321882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).