ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone

C19H41N2O3+ — CID 176987543

IUPACethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone
SMILESCC.CC.CCCOC1CN(C(=O)C2(CC)CCC[NH+]2C)CCO1
InChIInChI=1S/C15H28N2O3.2C2H6/c1-4-10-19-13-12-17(9-11-20-13)14(18)15(5-2)7-6-8-16(15)3;2*1-2/h13H,4-12H2,1-3H3;2*1-2H3/p+1
InChIKeyGRTJDYKINKGNOL-UHFFFAOYSA-O
MW345.55 g/mol
LogP2.11
Rot. Bonds5

About ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone

ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone (PubChem CID 176987543) has the molecular formula C19H41N2O3+ and a molecular weight of 345.55 g/mol. Its IUPAC name is ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone.

Molecular Properties

Compound Nameethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone
PubChem CID176987543
Molecular FormulaC19H41N2O3+
Molecular Weight345.55 g/mol
Exact Mass345.31
IUPAC Nameethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone
SMILESCC.CC.CCCOC1CN(C(=O)C2(CC)CCC[NH+]2C)CCO1
InChIInChI=1S/C15H28N2O3.2C2H6/c1-4-10-19-13-12-17(9-11-20-13)14(18)15(5-2)7-6-8-16(15)3;2*1-2/h13H,4-12H2,1-3H3;2*1-2H3/p+1
InChIKeyGRTJDYKINKGNOL-UHFFFAOYSA-O
XLogP2.11
TPSA43.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-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

Frequently Asked Questions

What is the IUPAC name of ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone?
The IUPAC name of ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone (CID 176987543) is ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone.
What is the SMILES notation for ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone?
The canonical SMILES for ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone is CC.CC.CCCOC1CN(C(=O)C2(CC)CCC[NH+]2C)CCO1.
What is the InChIKey of ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone?
The InChIKey is GRTJDYKINKGNOL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H28N2O3.2C2H6/c1-4-10-19-13-12-17(9-11-20-13)14(18)15(5-2)7-6-8-16(15)3;2*1-2/h13H,4-12H2,1-3H3;2*1-2H3/p+1.
What are the key properties of ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone?
ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone has a molecular weight of 345.55 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone is sourced from PubChem (CID 176987543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).