(3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine

C18H26FNO — CID 143154581

IUPAC(3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine
SMILESC=C/C(=C/C=C/C=C(\C=C/C=C\CF)C(C)(C)N)OCC
InChIInChI=1S/C18H26FNO/c1-5-17(21-6-2)14-10-9-13-16(18(3,4)20)12-8-7-11-15-19/h5,7-14H,1,6,15,20H2,2-4H3/b10-9+,11-7-,12-8-,16-13+,17-14-
InChIKeyGDHPJYROBPUUCA-WAGFAQKLSA-N
MW291.41 g/mol
LogP4.39
Rot. Bonds9

About (3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine

(3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine (PubChem CID 143154581) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is (3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine.

Molecular Properties

Compound Name(3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine
PubChem CID143154581
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name(3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine
SMILESC=C/C(=C/C=C/C=C(\C=C/C=C\CF)C(C)(C)N)OCC
InChIInChI=1S/C18H26FNO/c1-5-17(21-6-2)14-10-9-13-16(18(3,4)20)12-8-7-11-15-19/h5,7-14H,1,6,15,20H2,2-4H3/b10-9+,11-7-,12-8-,16-13+,17-14-
InChIKeyGDHPJYROBPUUCA-WAGFAQKLSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine?
The IUPAC name of (3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine (CID 143154581) is (3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine.
What is the SMILES notation for (3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine?
The canonical SMILES for (3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine is C=C/C(=C/C=C/C=C(\C=C/C=C\CF)C(C)(C)N)OCC.
What is the InChIKey of (3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine?
The InChIKey is GDHPJYROBPUUCA-WAGFAQKLSA-N. The full InChI is InChI=1S/C18H26FNO/c1-5-17(21-6-2)14-10-9-13-16(18(3,4)20)12-8-7-11-15-19/h5,7-14H,1,6,15,20H2,2-4H3/b10-9+,11-7-,12-8-,16-13+,17-14-.
What are the key properties of (3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine?
(3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine has a molecular weight of 291.41 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7Z)-8-ethoxy-3-[(1Z,3Z)-5-fluoropenta-1,3-dienyl]-2-methyldeca-3,5,7,9-tetraen-2-amine is sourced from PubChem (CID 143154581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).