(2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine

C10H19NO3 — CID 129115170

IUPAC(2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine
SMILESCOC/C(=C\C(N)=C/C(C)OC)OC
InChIInChI=1S/C10H19NO3/c1-8(13-3)5-9(11)6-10(14-4)7-12-2/h5-6,8H,7,11H2,1-4H3/b9-5+,10-6+
InChIKeyWNUBBYAVKZUYKA-NXZHAISVSA-N
MW201.27 g/mol
LogP1.04
Rot. Bonds6

About (2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine

(2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine (PubChem CID 129115170) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine
PubChem CID129115170
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine
SMILESCOC/C(=C\C(N)=C/C(C)OC)OC
InChIInChI=1S/C10H19NO3/c1-8(13-3)5-9(11)6-10(14-4)7-12-2/h5-6,8H,7,11H2,1-4H3/b9-5+,10-6+
InChIKeyWNUBBYAVKZUYKA-NXZHAISVSA-N
XLogP1.04
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine?
The IUPAC name of (2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine (CID 129115170) is (2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine.
What is the SMILES notation for (2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine?
The canonical SMILES for (2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine is COC/C(=C\C(N)=C/C(C)OC)OC.
What is the InChIKey of (2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine?
The InChIKey is WNUBBYAVKZUYKA-NXZHAISVSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(13-3)5-9(11)6-10(14-4)7-12-2/h5-6,8H,7,11H2,1-4H3/b9-5+,10-6+.
What are the key properties of (2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine?
(2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine has a molecular weight of 201.27 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1,2,6-trimethoxyhepta-2,4-dien-4-amine is sourced from PubChem (CID 129115170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).