(3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine

C8H13NO2 — CID 143245209

IUPAC(3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/OC)C(=C)OC
InChIInChI=1S/C8H13NO2/c1-6(9)5-8(11-4)7(2)10-3/h5H,1-2,9H2,3-4H3/b8-5+
InChIKeyCGGCJEVJDJKGQU-VMPITWQZSA-N
MW155.20 g/mol
LogP1.15
Rot. Bonds4

About (3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine

(3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine (PubChem CID 143245209) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine
PubChem CID143245209
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/OC)C(=C)OC
InChIInChI=1S/C8H13NO2/c1-6(9)5-8(11-4)7(2)10-3/h5H,1-2,9H2,3-4H3/b8-5+
InChIKeyCGGCJEVJDJKGQU-VMPITWQZSA-N
XLogP1.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-4,5-dimethoxyhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine (CID 143245209) is (3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine is C=C(N)/C=C(/OC)C(=C)OC.
What is the InChIKey of (3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine?
The InChIKey is CGGCJEVJDJKGQU-VMPITWQZSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(9)5-8(11-4)7(2)10-3/h5H,1-2,9H2,3-4H3/b8-5+.
What are the key properties of (3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine?
(3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine has a molecular weight of 155.20 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143245209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).