2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine

C8H17NO2 — CID 82352817

IUPAC2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine
SMILESC=C(C)COCCOCCN
InChIInChI=1S/C8H17NO2/c1-8(2)7-11-6-5-10-4-3-9/h1,3-7,9H2,2H3
InChIKeyMLEGRSCNEJTXCD-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.55
Rot. Bonds7

About 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine

2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine (PubChem CID 82352817) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine
PubChem CID82352817
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine
SMILESC=C(C)COCCOCCN
InChIInChI=1S/C8H17NO2/c1-8(2)7-11-6-5-10-4-3-9/h1,3-7,9H2,2H3
InChIKeyMLEGRSCNEJTXCD-UHFFFAOYSA-N
XLogP0.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.55
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 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine (CID 82352817) is 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine is C=C(C)COCCOCCN.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine?
The InChIKey is MLEGRSCNEJTXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2)7-11-6-5-10-4-3-9/h1,3-7,9H2,2H3.
What are the key properties of 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine?
2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine is sourced from PubChem (CID 82352817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).