N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine

C9H19NO2 — CID 118403164

IUPACN-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCOCC
InChIInChI=1S/C9H19NO2/c1-4-11-8-10-5-6-12-7-9(2)3/h10H,2,4-8H2,1,3H3
InChIKeyXBGMENGNWHXLPF-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.16
Rot. Bonds8

About N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine

N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 118403164) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID118403164
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCOCC
InChIInChI=1S/C9H19NO2/c1-4-11-8-10-5-6-12-7-9(2)3/h10H,2,4-8H2,1,3H3
InChIKeyXBGMENGNWHXLPF-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)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 N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine (CID 118403164) is N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCOCC.
What is the InChIKey of N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is XBGMENGNWHXLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-11-8-10-5-6-12-7-9(2)3/h10H,2,4-8H2,1,3H3.
What are the key properties of N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine?
N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 173.26 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 118403164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).