(4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine

C23H30FN — CID 130225746

IUPAC(4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine
SMILESC=C(CC(/C=C\CC(/C=C\C)=C/C)=C/C)N(C)Cc1cccc(F)c1
InChIInChI=1S/C23H30FN/c1-6-11-20(7-2)12-9-13-21(8-3)16-19(4)25(5)18-22-14-10-15-23(24)17-22/h6-11,13-15,17H,4,12,16,18H2,1-3,5H3/b11-6-,13-9-,20-7+,21-8+
InChIKeySLHHLPUOCMTBFA-LYASOVIOSA-N
MW339.50 g/mol
LogP6.58
Rot. Bonds9

About (4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine

(4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine (PubChem CID 130225746) has the molecular formula C23H30FN and a molecular weight of 339.50 g/mol. Its IUPAC name is (4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine.

Molecular Properties

Compound Name(4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine
PubChem CID130225746
Molecular FormulaC23H30FN
Molecular Weight339.50 g/mol
Exact Mass339.24
IUPAC Name(4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine
SMILESC=C(CC(/C=C\CC(/C=C\C)=C/C)=C/C)N(C)Cc1cccc(F)c1
InChIInChI=1S/C23H30FN/c1-6-11-20(7-2)12-9-13-21(8-3)16-19(4)25(5)18-22-14-10-15-23(24)17-22/h6-11,13-15,17H,4,12,16,18H2,1-3,5H3/b11-6-,13-9-,20-7+,21-8+
InChIKeySLHHLPUOCMTBFA-LYASOVIOSA-N
XLogP6.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.50
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine?
The IUPAC name of (4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine (CID 130225746) is (4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine.
What is the SMILES notation for (4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine?
The canonical SMILES for (4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine is C=C(CC(/C=C\CC(/C=C\C)=C/C)=C/C)N(C)Cc1cccc(F)c1.
What is the InChIKey of (4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine?
The InChIKey is SLHHLPUOCMTBFA-LYASOVIOSA-N. The full InChI is InChI=1S/C23H30FN/c1-6-11-20(7-2)12-9-13-21(8-3)16-19(4)25(5)18-22-14-10-15-23(24)17-22/h6-11,13-15,17H,4,12,16,18H2,1-3,5H3/b11-6-,13-9-,20-7+,21-8+.
What are the key properties of (4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine?
(4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine has a molecular weight of 339.50 g/mol, XLogP of 6.58, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z,8Z,9Z)-4,8-di(ethylidene)-N-[(3-fluorophenyl)methyl]-N-methylundeca-1,5,9-trien-2-amine is sourced from PubChem (CID 130225746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).