1-cyclopropyl-2,2-diethoxy-N-ethylethanamine

C11H23NO2 — CID 79494929

IUPAC1-cyclopropyl-2,2-diethoxy-N-ethylethanamine
SMILESCCNC(C1CC1)C(OCC)OCC
InChIInChI=1S/C11H23NO2/c1-4-12-10(9-7-8-9)11(13-5-2)14-6-3/h9-12H,4-8H2,1-3H3
InChIKeyHEGIYXDPWLQBFP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.77
Rot. Bonds8

About 1-cyclopropyl-2,2-diethoxy-N-ethylethanamine

1-cyclopropyl-2,2-diethoxy-N-ethylethanamine (PubChem CID 79494929) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-cyclopropyl-2,2-diethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2,2-diethoxy-N-ethylethanamine
PubChem CID79494929
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-cyclopropyl-2,2-diethoxy-N-ethylethanamine
SMILESCCNC(C1CC1)C(OCC)OCC
InChIInChI=1S/C11H23NO2/c1-4-12-10(9-7-8-9)11(13-5-2)14-6-3/h9-12H,4-8H2,1-3H3
InChIKeyHEGIYXDPWLQBFP-UHFFFAOYSA-N
XLogP1.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-2,2-diethoxy-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 1-cyclopropyl-2,2-diethoxy-N-ethylethanamine?
The IUPAC name of 1-cyclopropyl-2,2-diethoxy-N-ethylethanamine (CID 79494929) is 1-cyclopropyl-2,2-diethoxy-N-ethylethanamine.
What is the SMILES notation for 1-cyclopropyl-2,2-diethoxy-N-ethylethanamine?
The canonical SMILES for 1-cyclopropyl-2,2-diethoxy-N-ethylethanamine is CCNC(C1CC1)C(OCC)OCC.
What is the InChIKey of 1-cyclopropyl-2,2-diethoxy-N-ethylethanamine?
The InChIKey is HEGIYXDPWLQBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-12-10(9-7-8-9)11(13-5-2)14-6-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-2,2-diethoxy-N-ethylethanamine?
1-cyclopropyl-2,2-diethoxy-N-ethylethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,2-diethoxy-N-ethylethanamine is sourced from PubChem (CID 79494929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).