(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine

C18H27FN2 — CID 138528342

IUPAC(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine
SMILESC=CNC(C)/C=C\CC(=C)NCC(/C=C/C)=C/C=C(\C)F
InChIInChI=1S/C18H27FN2/c1-6-9-18(13-12-15(3)19)14-21-17(5)11-8-10-16(4)20-7-2/h6-10,12-13,16,20-21H,2,5,11,14H2,1,3-4H3/b9-6+,10-8-,15-12+,18-13+
InChIKeyYQUYPGVVZNGZGC-BXDWUSKVSA-N
MW290.43 g/mol
LogP4.53
Rot. Bonds10

About (4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine

(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine (PubChem CID 138528342) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is (4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine.

Molecular Properties

Compound Name(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine
PubChem CID138528342
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine
SMILESC=CNC(C)/C=C\CC(=C)NCC(/C=C/C)=C/C=C(\C)F
InChIInChI=1S/C18H27FN2/c1-6-9-18(13-12-15(3)19)14-21-17(5)11-8-10-16(4)20-7-2/h6-10,12-13,16,20-21H,2,5,11,14H2,1,3-4H3/b9-6+,10-8-,15-12+,18-13+
InChIKeyYQUYPGVVZNGZGC-BXDWUSKVSA-N
XLogP4.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine?
The IUPAC name of (4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine (CID 138528342) is (4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine.
What is the SMILES notation for (4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine?
The canonical SMILES for (4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine is C=CNC(C)/C=C\CC(=C)NCC(/C=C/C)=C/C=C(\C)F.
What is the InChIKey of (4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine?
The InChIKey is YQUYPGVVZNGZGC-BXDWUSKVSA-N. The full InChI is InChI=1S/C18H27FN2/c1-6-9-18(13-12-15(3)19)14-21-17(5)11-8-10-16(4)20-7-2/h6-10,12-13,16,20-21H,2,5,11,14H2,1,3-4H3/b9-6+,10-8-,15-12+,18-13+.
What are the key properties of (4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine?
(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine has a molecular weight of 290.43 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine is sourced from PubChem (CID 138528342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).