2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine

C11H23NO3 — CID 142585414

IUPAC2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine
SMILESC=C(C)CCOCCOCCOCCN
InChIInChI=1S/C11H23NO3/c1-11(2)3-5-13-7-9-15-10-8-14-6-4-12/h1,3-10,12H2,2H3
InChIKeyATKCKZAGBQCAMA-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.96
Rot. Bonds11

About 2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine

2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine (PubChem CID 142585414) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine
PubChem CID142585414
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine
SMILESC=C(C)CCOCCOCCOCCN
InChIInChI=1S/C11H23NO3/c1-11(2)3-5-13-7-9-15-10-8-14-6-4-12/h1,3-10,12H2,2H3
InChIKeyATKCKZAGBQCAMA-UHFFFAOYSA-N
XLogP0.96
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine (CID 142585414) is 2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine is C=C(C)CCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine?
The InChIKey is ATKCKZAGBQCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2)3-5-13-7-9-15-10-8-14-6-4-12/h1,3-10,12H2,2H3.
What are the key properties of 2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine?
2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine has a molecular weight of 217.31 g/mol, XLogP of 0.96, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 142585414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).