[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone

C11H20N2O3 — CID 114802188

IUPAC[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
SMILESNCCC1CCN(C(=O)C2COCCO2)C1
InChIInChI=1S/C11H20N2O3/c12-3-1-9-2-4-13(7-9)11(14)10-8-15-5-6-16-10/h9-10H,1-8,12H2
InChIKeyWUHUYACYERRQHH-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.40
Rot. Bonds3

About [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone

[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone (PubChem CID 114802188) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
PubChem CID114802188
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
SMILESNCCC1CCN(C(=O)C2COCCO2)C1
InChIInChI=1S/C11H20N2O3/c12-3-1-9-2-4-13(7-9)11(14)10-8-15-5-6-16-10/h9-10H,1-8,12H2
InChIKeyWUHUYACYERRQHH-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-bromoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114801433
[3-(chloromethyl)piperidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 63393242
1-(1,4-dioxane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031794
[3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 168813787
1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119261251
[2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone
CID 81211074
(3S)-1-(1,4-dioxane-2-carbonyl)piperidine-3-carboxylic acid
CID 81125447
N-[[1-(1,4-dioxane-2-carbonyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 102557033
[(2R)-1,4-dioxan-2-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124856634
1,4-dioxan-2-yl-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 71868728
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 115746294
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone
CID 113222366

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone (CID 114802188) is [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone is NCCC1CCN(C(=O)C2COCCO2)C1.
What is the InChIKey of [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone?
The InChIKey is WUHUYACYERRQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-3-1-9-2-4-13(7-9)11(14)10-8-15-5-6-16-10/h9-10H,1-8,12H2.
What are the key properties of [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone?
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 114802188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).