1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine

C12H23NO2 — CID 121299843

IUPAC1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine
SMILESCC/C=C/OC(C)NC(C)O/C=C/CC
InChIInChI=1S/C12H23NO2/c1-5-7-9-14-11(3)13-12(4)15-10-8-6-2/h7-13H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyYLHDHYPKYKUGMW-FIFLTTCUSA-N
MW213.32 g/mol
LogP3.15
Rot. Bonds8

About 1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine

1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine (PubChem CID 121299843) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine.

Molecular Properties

Compound Name1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine
PubChem CID121299843
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine
SMILESCC/C=C/OC(C)NC(C)O/C=C/CC
InChIInChI=1S/C12H23NO2/c1-5-7-9-14-11(3)13-12(4)15-10-8-6-2/h7-13H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyYLHDHYPKYKUGMW-FIFLTTCUSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine 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 1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine?
The IUPAC name of 1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine (CID 121299843) is 1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine.
What is the SMILES notation for 1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine?
The canonical SMILES for 1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine is CC/C=C/OC(C)NC(C)O/C=C/CC.
What is the InChIKey of 1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine?
The InChIKey is YLHDHYPKYKUGMW-FIFLTTCUSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-7-9-14-11(3)13-12(4)15-10-8-6-2/h7-13H,5-6H2,1-4H3/b9-7+,10-8+.
What are the key properties of 1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine?
1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine has a molecular weight of 213.32 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine is sourced from PubChem (CID 121299843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).