N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine

C10H22N2O — CID 60698188

IUPACN-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine
SMILESCCOCCNCCN1CCCC1
InChIInChI=1S/C10H22N2O/c1-2-13-10-6-11-5-9-12-7-3-4-8-12/h11H,2-10H2,1H3
InChIKeyBNYOGJKEMBLTAP-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds7

About N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine

N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 60698188) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine
PubChem CID60698188
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine
SMILESCCOCCNCCN1CCCC1
InChIInChI=1S/C10H22N2O/c1-2-13-10-6-11-5-9-12-7-3-4-8-12/h11H,2-10H2,1H3
InChIKeyBNYOGJKEMBLTAP-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine 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-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine (CID 60698188) is N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine is CCOCCNCCN1CCCC1.
What is the InChIKey of N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is BNYOGJKEMBLTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-13-10-6-11-5-9-12-7-3-4-8-12/h11H,2-10H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine?
N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 60698188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).