(2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine

C11H19NO — CID 167310825

IUPAC(2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/C)N(C)CC)OC
InChIInChI=1S/C11H19NO/c1-6-11(13-5)9-8-10(3)12(4)7-2/h6,8-9H,1,7H2,2-5H3/b10-8+,11-9+
InChIKeyQGLGZNSWHJTFPJ-GFULKKFKSA-N
MW181.28 g/mol
LogP2.56
Rot. Bonds5

About (2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine

(2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine (PubChem CID 167310825) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine
PubChem CID167310825
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/C)N(C)CC)OC
InChIInChI=1S/C11H19NO/c1-6-11(13-5)9-8-10(3)12(4)7-2/h6,8-9H,1,7H2,2-5H3/b10-8+,11-9+
InChIKeyQGLGZNSWHJTFPJ-GFULKKFKSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-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,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine (CID 167310825) is (2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine is C=C/C(=C\C=C(/C)N(C)CC)OC.
What is the InChIKey of (2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine?
The InChIKey is QGLGZNSWHJTFPJ-GFULKKFKSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-11(13-5)9-8-10(3)12(4)7-2/h6,8-9H,1,7H2,2-5H3/b10-8+,11-9+.
What are the key properties of (2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine?
(2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethyl-5-methoxy-N-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 167310825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).