N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine

C13H28N2O2 — CID 18723539

IUPACN-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CN(C)CC1C(OC)OC
InChIInChI=1S/C13H28N2O2/c1-6-15(7-2)9-11-8-14(3)10-12(11)13(16-4)17-5/h11-13H,6-10H2,1-5H3
InChIKeySWLYXOOVPHWJKK-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.12
Rot. Bonds7

About N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine

N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine (PubChem CID 18723539) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
PubChem CID18723539
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CN(C)CC1C(OC)OC
InChIInChI=1S/C13H28N2O2/c1-6-15(7-2)9-11-8-14(3)10-12(11)13(16-4)17-5/h11-13H,6-10H2,1-5H3
InChIKeySWLYXOOVPHWJKK-UHFFFAOYSA-N
XLogP1.12
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine 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-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine (CID 18723539) is N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine is CCN(CC)CC1CN(C)CC1C(OC)OC.
What is the InChIKey of N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine?
The InChIKey is SWLYXOOVPHWJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-15(7-2)9-11-8-14(3)10-12(11)13(16-4)17-5/h11-13H,6-10H2,1-5H3.
What are the key properties of N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine?
N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine has a molecular weight of 244.38 g/mol, XLogP of 1.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 18723539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).