N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine

C9H19NO2 — CID 103074415

IUPACN-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCCOC
InChIInChI=1S/C9H19NO2/c1-4-10-7-9(2)8-12-6-5-11-3/h10H,2,4-8H2,1,3H3
InChIKeyBQISBBIQTAZPAK-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.82
Rot. Bonds8

About N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine

N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine (PubChem CID 103074415) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine
PubChem CID103074415
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCCOC
InChIInChI=1S/C9H19NO2/c1-4-10-7-9(2)8-12-6-5-11-3/h10H,2,4-8H2,1,3H3
InChIKeyBQISBBIQTAZPAK-UHFFFAOYSA-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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Related Compounds

N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
2-(2,2-difluoroethoxymethyl)-N-propylprop-2-en-1-amine
CID 103075031
N-ethyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075053
N-propyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075059
N-methyl-2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine
CID 88262803
1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 88445841
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
N-(3-ethoxypropyl)-2-methylprop-2-en-1-amine
CID 60689898
N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-en-1-amine
CID 62331546
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine (CID 103074415) is N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine is C=C(CNCC)COCCOC.
What is the InChIKey of N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine?
The InChIKey is BQISBBIQTAZPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-10-7-9(2)8-12-6-5-11-3/h10H,2,4-8H2,1,3H3.
What are the key properties of N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine 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-(2-methoxyethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).