(2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine

C11H21NO3 — CID 138709544

IUPAC(2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine
SMILESCN/C(C)=C/C(OC)=C(/OC)C(C)OC
InChIInChI=1S/C11H21NO3/c1-8(12-3)7-10(14-5)11(15-6)9(2)13-4/h7,9,12H,1-6H3/b8-7+,11-10-
InChIKeyMAIMWIYEVMORSU-LFOHPMNASA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds6

About (2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine

(2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine (PubChem CID 138709544) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine
PubChem CID138709544
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine
SMILESCN/C(C)=C/C(OC)=C(/OC)C(C)OC
InChIInChI=1S/C11H21NO3/c1-8(12-3)7-10(14-5)11(15-6)9(2)13-4/h7,9,12H,1-6H3/b8-7+,11-10-
InChIKeyMAIMWIYEVMORSU-LFOHPMNASA-N
XLogP1.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
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'}

Analyze (2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine (CID 138709544) is (2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine is CN/C(C)=C/C(OC)=C(/OC)C(C)OC.
What is the InChIKey of (2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine?
The InChIKey is MAIMWIYEVMORSU-LFOHPMNASA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(12-3)7-10(14-5)11(15-6)9(2)13-4/h7,9,12H,1-6H3/b8-7+,11-10-.
What are the key properties of (2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine?
(2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine has a molecular weight of 215.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4,5,6-trimethoxy-N-methylhepta-2,4-dien-2-amine is sourced from PubChem (CID 138709544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).