(E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol

C10H21NO3 — CID 144940969

IUPAC(E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol
SMILESCCN(C/C=C/C=O)CCOC.CO
InChIInChI=1S/C9H17NO2.CH4O/c1-3-10(7-9-12-2)6-4-5-8-11;1-2/h4-5,8H,3,6-7,9H2,1-2H3;2H,1H3/b5-4+;
InChIKeyNDKGFBXKQDJVKB-FXRZFVDSSA-N
MW203.28 g/mol
LogP0.32
Rot. Bonds7

About (E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol

(E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol (PubChem CID 144940969) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol.

Molecular Properties

Compound Name(E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol
PubChem CID144940969
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol
SMILESCCN(C/C=C/C=O)CCOC.CO
InChIInChI=1S/C9H17NO2.CH4O/c1-3-10(7-9-12-2)6-4-5-8-11;1-2/h4-5,8H,3,6-7,9H2,1-2H3;2H,1H3/b5-4+;
InChIKeyNDKGFBXKQDJVKB-FXRZFVDSSA-N
XLogP0.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol?
The IUPAC name of (E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol (CID 144940969) is (E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol.
What is the SMILES notation for (E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol?
The canonical SMILES for (E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol is CCN(C/C=C/C=O)CCOC.CO.
What is the InChIKey of (E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol?
The InChIKey is NDKGFBXKQDJVKB-FXRZFVDSSA-N. The full InChI is InChI=1S/C9H17NO2.CH4O/c1-3-10(7-9-12-2)6-4-5-8-11;1-2/h4-5,8H,3,6-7,9H2,1-2H3;2H,1H3/b5-4+;.
What are the key properties of (E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol?
(E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol has a molecular weight of 203.28 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[ethyl(2-methoxyethyl)amino]but-2-enal;methanol is sourced from PubChem (CID 144940969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).