N-(2-but-3-enoxyethyl)-2-methoxyethanamine

C9H19NO2 — CID 62597145

IUPACN-(2-but-3-enoxyethyl)-2-methoxyethanamine
SMILESC=CCCOCCNCCOC
InChIInChI=1S/C9H19NO2/c1-3-4-7-12-9-6-10-5-8-11-2/h3,10H,1,4-9H2,2H3
InChIKeyXQFSKNDPDBKZDF-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.82
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-2-methoxyethanamine

N-(2-but-3-enoxyethyl)-2-methoxyethanamine (PubChem CID 62597145) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-methoxyethanamine
PubChem CID62597145
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(2-but-3-enoxyethyl)-2-methoxyethanamine
SMILESC=CCCOCCNCCOC
InChIInChI=1S/C9H19NO2/c1-3-4-7-12-9-6-10-5-8-11-2/h3,10H,1,4-9H2,2H3
InChIKeyXQFSKNDPDBKZDF-UHFFFAOYSA-N
XLogP0.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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'}

Analyze N-(2-but-3-enoxyethyl)-2-methoxyethanamine 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 N-(2-but-3-enoxyethyl)-2-methoxyethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-methoxyethanamine (CID 62597145) is N-(2-but-3-enoxyethyl)-2-methoxyethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-methoxyethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-methoxyethanamine is C=CCCOCCNCCOC.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-methoxyethanamine?
The InChIKey is XQFSKNDPDBKZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-7-12-9-6-10-5-8-11-2/h3,10H,1,4-9H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2-methoxyethanamine?
N-(2-but-3-enoxyethyl)-2-methoxyethanamine has a molecular weight of 173.26 g/mol, XLogP of 0.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-methoxyethanamine is sourced from PubChem (CID 62597145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).