N-ethoxy-1-methylpyrrolidin-3-amine

C7H16N2O — CID 82709120

IUPACN-ethoxy-1-methylpyrrolidin-3-amine
SMILESCCONC1CCN(C)C1
InChIInChI=1S/C7H16N2O/c1-3-10-8-7-4-5-9(2)6-7/h7-8H,3-6H2,1-2H3
InChIKeyGYNAGUIWBUZMRS-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.23
Rot. Bonds3

About N-ethoxy-1-methylpyrrolidin-3-amine

N-ethoxy-1-methylpyrrolidin-3-amine (PubChem CID 82709120) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-ethoxy-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethoxy-1-methylpyrrolidin-3-amine
PubChem CID82709120
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-ethoxy-1-methylpyrrolidin-3-amine
SMILESCCONC1CCN(C)C1
InChIInChI=1S/C7H16N2O/c1-3-10-8-7-4-5-9(2)6-7/h7-8H,3-6H2,1-2H3
InChIKeyGYNAGUIWBUZMRS-UHFFFAOYSA-N
XLogP0.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethoxy-1-methylpyrrolidin-3-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 N-ethoxy-1-methylpyrrolidin-3-amine?
The IUPAC name of N-ethoxy-1-methylpyrrolidin-3-amine (CID 82709120) is N-ethoxy-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-ethoxy-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-ethoxy-1-methylpyrrolidin-3-amine is CCONC1CCN(C)C1.
What is the InChIKey of N-ethoxy-1-methylpyrrolidin-3-amine?
The InChIKey is GYNAGUIWBUZMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-10-8-7-4-5-9(2)6-7/h7-8H,3-6H2,1-2H3.
What are the key properties of N-ethoxy-1-methylpyrrolidin-3-amine?
N-ethoxy-1-methylpyrrolidin-3-amine has a molecular weight of 144.22 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 82709120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).