(3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine

C13H23NO2 — CID 143506623

IUPAC(3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine
SMILESC=C/C(=C\C=C(/COC)OC)C(C)CNC
InChIInChI=1S/C13H23NO2/c1-6-12(11(2)9-14-3)7-8-13(16-5)10-15-4/h6-8,11,14H,1,9-10H2,2-5H3/b12-7+,13-8+
InChIKeyUENUDRUZDCECMN-INOXDZRUSA-N
MW225.33 g/mol
LogP2.13
Rot. Bonds8

About (3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine

(3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine (PubChem CID 143506623) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine
PubChem CID143506623
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine
SMILESC=C/C(=C\C=C(/COC)OC)C(C)CNC
InChIInChI=1S/C13H23NO2/c1-6-12(11(2)9-14-3)7-8-13(16-5)10-15-4/h6-8,11,14H,1,9-10H2,2-5H3/b12-7+,13-8+
InChIKeyUENUDRUZDCECMN-INOXDZRUSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.13
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,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine?
The IUPAC name of (3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine (CID 143506623) is (3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine?
The canonical SMILES for (3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine is C=C/C(=C\C=C(/COC)OC)C(C)CNC.
What is the InChIKey of (3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine?
The InChIKey is UENUDRUZDCECMN-INOXDZRUSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-12(11(2)9-14-3)7-8-13(16-5)10-15-4/h6-8,11,14H,1,9-10H2,2-5H3/b12-7+,13-8+.
What are the key properties of (3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine?
(3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine is sourced from PubChem (CID 143506623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).