2-(2-ethoxyethoxymethyl)prop-2-en-1-amine

C8H17NO2 — CID 103074375

IUPAC2-(2-ethoxyethoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCOCC
InChIInChI=1S/C8H17NO2/c1-3-10-4-5-11-7-8(2)6-9/h2-7,9H2,1H3
InChIKeyMGIQHAPEGWRILI-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.55
Rot. Bonds7

About 2-(2-ethoxyethoxymethyl)prop-2-en-1-amine

2-(2-ethoxyethoxymethyl)prop-2-en-1-amine (PubChem CID 103074375) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(2-ethoxyethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-ethoxyethoxymethyl)prop-2-en-1-amine
PubChem CID103074375
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(2-ethoxyethoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCOCC
InChIInChI=1S/C8H17NO2/c1-3-10-4-5-11-7-8(2)6-9/h2-7,9H2,1H3
InChIKeyMGIQHAPEGWRILI-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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Related Compounds

2-(Ethoxymethyl)buta-2,3-dien-1-amine
CID 19894398
2-[2-(2-Methylprop-2-enoxy)ethoxy]ethanamine
CID 82352817
2-[2-[2-[2-(2-Methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 154977606
2-(Aminomethyl)-3-methoxyprop-1-ene
CID 103074361
2-(Ethoxymethyl)prop-2-en-1-amine
CID 103074368
2-(2-ethoxyethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074370
2-(2-ethoxyethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074374
2-(2-ethoxyethoxymethyl)-N-methylprop-2-en-1-amine
CID 103074376
2-(3-Methylbutoxymethyl)prop-2-en-1-amine
CID 103074387
N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine
CID 103074415
2-(2-methoxyethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074419
2-(2-Methoxyethoxymethyl)prop-2-en-1-amine
CID 103074420

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(2-ethoxyethoxymethyl)prop-2-en-1-amine (CID 103074375) is 2-(2-ethoxyethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(2-ethoxyethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(2-ethoxyethoxymethyl)prop-2-en-1-amine is C=C(CN)COCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxymethyl)prop-2-en-1-amine?
The InChIKey is MGIQHAPEGWRILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-10-4-5-11-7-8(2)6-9/h2-7,9H2,1H3.
What are the key properties of 2-(2-ethoxyethoxymethyl)prop-2-en-1-amine?
2-(2-ethoxyethoxymethyl)prop-2-en-1-amine 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-ethoxyethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).