3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

C12H25NO4 — CID 103409652

IUPAC3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCOCCOCCCNCC1(OC)CCOC1
InChIInChI=1S/C12H25NO4/c1-14-8-9-16-6-3-5-13-10-12(15-2)4-7-17-11-12/h13H,3-11H2,1-2H3
InChIKeyPGHJUTXDDDNOEB-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.43
Rot. Bonds10

About 3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (PubChem CID 103409652) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
PubChem CID103409652
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCOCCOCCCNCC1(OC)CCOC1
InChIInChI=1S/C12H25NO4/c1-14-8-9-16-6-3-5-13-10-12(15-2)4-7-17-11-12/h13H,3-11H2,1-2H3
InChIKeyPGHJUTXDDDNOEB-UHFFFAOYSA-N
XLogP0.43
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (CID 103409652) is 3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is COCCOCCCNCC1(OC)CCOC1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The InChIKey is PGHJUTXDDDNOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-14-8-9-16-6-3-5-13-10-12(15-2)4-7-17-11-12/h13H,3-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine has a molecular weight of 247.33 g/mol, XLogP of 0.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 103409652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).