N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine

C9H19NO2 — CID 88906931

IUPACN-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine
SMILESCCNCCOC/C=C/COC
InChIInChI=1S/C9H19NO2/c1-3-10-6-9-12-8-5-4-7-11-2/h4-5,10H,3,6-9H2,1-2H3/b5-4+
InChIKeyGHDWJAUBAYEACL-SNAWJCMRSA-N
MW173.26 g/mol
LogP0.82
Rot. Bonds8

About N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine

N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine (PubChem CID 88906931) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine
PubChem CID88906931
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine
SMILESCCNCCOC/C=C/COC
InChIInChI=1S/C9H19NO2/c1-3-10-6-9-12-8-5-4-7-11-2/h4-5,10H,3,6-9H2,1-2H3/b5-4+
InChIKeyGHDWJAUBAYEACL-SNAWJCMRSA-N
XLogP0.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine?
The IUPAC name of N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine (CID 88906931) is N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine is CCNCCOC/C=C/COC.
What is the InChIKey of N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine?
The InChIKey is GHDWJAUBAYEACL-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-10-6-9-12-8-5-4-7-11-2/h4-5,10H,3,6-9H2,1-2H3/b5-4+.
What are the key properties of N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine?
N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine has a molecular weight of 173.26 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine is sourced from PubChem (CID 88906931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).