N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine

C11H19NO — CID 143502483

IUPACN-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine
SMILESC/C=C\C=C/C=C/OCCNCC
InChIInChI=1S/C11H19NO/c1-3-5-6-7-8-10-13-11-9-12-4-2/h3,5-8,10,12H,4,9,11H2,1-2H3/b5-3-,7-6-,10-8+
InChIKeyMREIZIKTNAGFDM-CFFQDKAHSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds7

About N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine

N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine (PubChem CID 143502483) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine
PubChem CID143502483
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine
SMILESC/C=C\C=C/C=C/OCCNCC
InChIInChI=1S/C11H19NO/c1-3-5-6-7-8-10-13-11-9-12-4-2/h3,5-8,10,12H,4,9,11H2,1-2H3/b5-3-,7-6-,10-8+
InChIKeyMREIZIKTNAGFDM-CFFQDKAHSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine?
The IUPAC name of N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine (CID 143502483) is N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine is C/C=C\C=C/C=C/OCCNCC.
What is the InChIKey of N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine?
The InChIKey is MREIZIKTNAGFDM-CFFQDKAHSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-6-7-8-10-13-11-9-12-4-2/h3,5-8,10,12H,4,9,11H2,1-2H3/b5-3-,7-6-,10-8+.
What are the key properties of N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine?
N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethanamine is sourced from PubChem (CID 143502483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).