2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine

C11H19NO2 — CID 154979177

IUPAC2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine
SMILESC=C/C=C\C(=C/C)OCCOCCN
InChIInChI=1S/C11H19NO2/c1-3-5-6-11(4-2)14-10-9-13-8-7-12/h3-6H,1,7-10,12H2,2H3/b6-5-,11-4+
InChIKeyGJSDMIQUMZKQRV-VWXLBWAMSA-N
MW197.28 g/mol
LogP1.62
Rot. Bonds8

About 2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine

2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine (PubChem CID 154979177) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine
PubChem CID154979177
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine
SMILESC=C/C=C\C(=C/C)OCCOCCN
InChIInChI=1S/C11H19NO2/c1-3-5-6-11(4-2)14-10-9-13-8-7-12/h3-6H,1,7-10,12H2,2H3/b6-5-,11-4+
InChIKeyGJSDMIQUMZKQRV-VWXLBWAMSA-N
XLogP1.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 166932546
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyprop-1-ene-2-thiol;(3Z)-2-methylhexa-1,3,5-triene
CID 143046067
2-[(2E,4E,6E)-5-ethenylocta-2,4,6-trien-3-yl]oxyethanamine
CID 142390040
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine
CID 167017782
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
ethane-1,2-diamine;bis(penta-2,4-dienoic acid)
CID 175419626
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetaldehyde;ethane
CID 142368342
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
(3Z)-2-butoxyhexa-1,3,5-triene
CID 142368588
(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 143508019

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine?
The IUPAC name of 2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine (CID 154979177) is 2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine?
The canonical SMILES for 2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine is C=C/C=C\C(=C/C)OCCOCCN.
What is the InChIKey of 2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine?
The InChIKey is GJSDMIQUMZKQRV-VWXLBWAMSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-5-6-11(4-2)14-10-9-13-8-7-12/h3-6H,1,7-10,12H2,2H3/b6-5-,11-4+.
What are the key properties of 2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine?
2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyethoxy]ethanamine is sourced from PubChem (CID 154979177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).