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

C10H17NO2 — CID 89209363

IUPAC(2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine
SMILESC=C(OC)/C(=C\C=C(/C)NC)OC
InChIInChI=1S/C10H17NO2/c1-8(11-3)6-7-10(13-5)9(2)12-4/h6-7,11H,2H2,1,3-5H3/b8-6+,10-7+
InChIKeyGCZJBGCYLNJVTE-NBANWCDVSA-N
MW183.25 g/mol
LogP1.80
Rot. Bonds5

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

(2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine (PubChem CID 89209363) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine
PubChem CID89209363
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine
SMILESC=C(OC)/C(=C\C=C(/C)NC)OC
InChIInChI=1S/C10H17NO2/c1-8(11-3)6-7-10(13-5)9(2)12-4/h6-7,11H,2H2,1,3-5H3/b8-6+,10-7+
InChIKeyGCZJBGCYLNJVTE-NBANWCDVSA-N
XLogP1.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.80
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 (2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine (CID 89209363) is (2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine is C=C(OC)/C(=C\C=C(/C)NC)OC.
What is the InChIKey of (2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine?
The InChIKey is GCZJBGCYLNJVTE-NBANWCDVSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(11-3)6-7-10(13-5)9(2)12-4/h6-7,11H,2H2,1,3-5H3/b8-6+,10-7+.
What are the key properties of (2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine?
(2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine has a molecular weight of 183.25 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,6-dimethoxy-N-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 89209363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).