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

C16H31NO2 — CID 121299802

IUPAC1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine
SMILESCCCC/C=C/OC(C)NC(C)O/C=C/CCCC
InChIInChI=1S/C16H31NO2/c1-5-7-9-11-13-18-15(3)17-16(4)19-14-12-10-8-6-2/h11-17H,5-10H2,1-4H3/b13-11+,14-12+
InChIKeyFAVTVILBPXRYEY-PHEQNACWSA-N
MW269.43 g/mol
LogP4.71
Rot. Bonds12

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

1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine (PubChem CID 121299802) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine.

Molecular Properties

Compound Name1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine
PubChem CID121299802
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine
SMILESCCCC/C=C/OC(C)NC(C)O/C=C/CCCC
InChIInChI=1S/C16H31NO2/c1-5-7-9-11-13-18-15(3)17-16(4)19-14-12-10-8-6-2/h11-17H,5-10H2,1-4H3/b13-11+,14-12+
InChIKeyFAVTVILBPXRYEY-PHEQNACWSA-N
XLogP4.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-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)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine?
The IUPAC name of 1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine (CID 121299802) is 1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine.
What is the SMILES notation for 1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine?
The canonical SMILES for 1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine is CCCC/C=C/OC(C)NC(C)O/C=C/CCCC.
What is the InChIKey of 1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine?
The InChIKey is FAVTVILBPXRYEY-PHEQNACWSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-7-9-11-13-18-15(3)17-16(4)19-14-12-10-8-6-2/h11-17H,5-10H2,1-4H3/b13-11+,14-12+.
What are the key properties of 1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine?
1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 4.71, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine is sourced from PubChem (CID 121299802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).