(2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol

C14H19NO2 — CID 59538777

IUPAC(2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol
SMILESC#C/C=C/C=C(\C)NCCO/C=C/C=C(\C)O
InChIInChI=1S/C14H19NO2/c1-4-5-6-8-13(2)15-10-12-17-11-7-9-14(3)16/h1,5-9,11,15-16H,10,12H2,2-3H3/b6-5+,11-7+,13-8+,14-9+
InChIKeyJFXIEKXXCSKQEP-DYCKLRFTSA-N
MW233.31 g/mol
LogP2.66
Rot. Bonds7

About (2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol

(2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol (PubChem CID 59538777) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol
PubChem CID59538777
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol
SMILESC#C/C=C/C=C(\C)NCCO/C=C/C=C(\C)O
InChIInChI=1S/C14H19NO2/c1-4-5-6-8-13(2)15-10-12-17-11-7-9-14(3)16/h1,5-9,11,15-16H,10,12H2,2-3H3/b6-5+,11-7+,13-8+,14-9+
InChIKeyJFXIEKXXCSKQEP-DYCKLRFTSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol?
The IUPAC name of (2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol (CID 59538777) is (2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol.
What is the SMILES notation for (2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol?
The canonical SMILES for (2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol is C#C/C=C/C=C(\C)NCCO/C=C/C=C(\C)O.
What is the InChIKey of (2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol?
The InChIKey is JFXIEKXXCSKQEP-DYCKLRFTSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-5-6-8-13(2)15-10-12-17-11-7-9-14(3)16/h1,5-9,11,15-16H,10,12H2,2-3H3/b6-5+,11-7+,13-8+,14-9+.
What are the key properties of (2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol?
(2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol has a molecular weight of 233.31 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[2-[[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]amino]ethoxy]penta-2,4-dien-2-ol is sourced from PubChem (CID 59538777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).