(2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine

C11H19NO2 — CID 142226977

IUPAC(2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine
SMILESC=C(OC)/C(=C\C=C(/C)CNC)OC
InChIInChI=1S/C11H19NO2/c1-9(8-12-3)6-7-11(14-5)10(2)13-4/h6-7,12H,2,8H2,1,3-5H3/b9-6+,11-7+
InChIKeyRWDJCUGEQWBLBL-QHAIXMIYSA-N
MW197.28 g/mol
LogP1.84
Rot. Bonds6

About (2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine

(2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine (PubChem CID 142226977) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine
PubChem CID142226977
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine
SMILESC=C(OC)/C(=C\C=C(/C)CNC)OC
InChIInChI=1S/C11H19NO2/c1-9(8-12-3)6-7-11(14-5)10(2)13-4/h6-7,12H,2,8H2,1,3-5H3/b9-6+,11-7+
InChIKeyRWDJCUGEQWBLBL-QHAIXMIYSA-N
XLogP1.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.84
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,2-dimethylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine (CID 142226977) is (2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine is C=C(OC)/C(=C\C=C(/C)CNC)OC.
What is the InChIKey of (2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine?
The InChIKey is RWDJCUGEQWBLBL-QHAIXMIYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(8-12-3)6-7-11(14-5)10(2)13-4/h6-7,12H,2,8H2,1,3-5H3/b9-6+,11-7+.
What are the key properties of (2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine?
(2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.84, 6 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,2-dimethylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 142226977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).