1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine

C11H19N3O2 — CID 62804886

IUPAC1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
SMILESCCNC(Cc1ncc[nH]1)C1COCCO1
InChIInChI=1S/C11H19N3O2/c1-2-12-9(7-11-13-3-4-14-11)10-8-15-5-6-16-10/h3-4,9-10,12H,2,5-8H2,1H3,(H,13,14)
InChIKeyFLUCBNLMYHUHBT-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.35
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine

1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine (PubChem CID 62804886) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
PubChem CID62804886
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
SMILESCCNC(Cc1ncc[nH]1)C1COCCO1
InChIInChI=1S/C11H19N3O2/c1-2-12-9(7-11-13-3-4-14-11)10-8-15-5-6-16-10/h3-4,9-10,12H,2,5-8H2,1H3,(H,13,14)
InChIKeyFLUCBNLMYHUHBT-UHFFFAOYSA-N
XLogP0.35
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine 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-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine (CID 62804886) is 1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine is CCNC(Cc1ncc[nH]1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine?
The InChIKey is FLUCBNLMYHUHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-12-9(7-11-13-3-4-14-11)10-8-15-5-6-16-10/h3-4,9-10,12H,2,5-8H2,1H3,(H,13,14).
What are the key properties of 1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine?
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 62804886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).