2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine

C11H21NO2 — CID 62598343

IUPAC2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCOC1
InChIInChI=1S/C11H21NO2/c1-2-3-6-13-8-5-12-9-11-4-7-14-10-11/h2,11-12H,1,3-10H2
InChIKeyNMNNJGUGGLKXMM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.21
Rot. Bonds8

About 2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine

2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62598343) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62598343
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCOC1
InChIInChI=1S/C11H21NO2/c1-2-3-6-13-8-5-12-9-11-4-7-14-10-11/h2,11-12H,1,3-10H2
InChIKeyNMNNJGUGGLKXMM-UHFFFAOYSA-N
XLogP1.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.21
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 2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine 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 2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine (CID 62598343) is 2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine is C=CCCOCCNCC1CCOC1.
What is the InChIKey of 2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is NMNNJGUGGLKXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-6-13-8-5-12-9-11-4-7-14-10-11/h2,11-12H,1,3-10H2.
What are the key properties of 2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine?
2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62598343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).