2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine

C9H19NO2 — CID 103074753

IUPAC2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COC(C)COC
InChIInChI=1S/C9H19NO2/c1-8(5-10-3)6-12-9(2)7-11-4/h9-10H,1,5-7H2,2-4H3
InChIKeyXTBVTKJKLUBWHR-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.81
Rot. Bonds7

About 2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine

2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine (PubChem CID 103074753) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine
PubChem CID103074753
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COC(C)COC
InChIInChI=1S/C9H19NO2/c1-8(5-10-3)6-12-9(2)7-11-4/h9-10H,1,5-7H2,2-4H3
InChIKeyXTBVTKJKLUBWHR-UHFFFAOYSA-N
XLogP0.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
2-(ethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074363
2-(ethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074367
2-(2-ethoxyethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074370
2-(2-ethoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074372
N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine
CID 103074373
2-(2-ethoxyethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074374
2-(2-Ethoxyethoxymethyl)prop-2-en-1-amine
CID 103074375
2-(2-ethoxyethoxymethyl)-N-methylprop-2-en-1-amine
CID 103074376
N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine
CID 103074415
2-(2-methoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074417

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine (CID 103074753) is 2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine is C=C(CNC)COC(C)COC.
What is the InChIKey of 2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
The InChIKey is XTBVTKJKLUBWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(5-10-3)6-12-9(2)7-11-4/h9-10H,1,5-7H2,2-4H3.
What are the key properties of 2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103074753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).