2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine

C11H20N2O2S — CID 66385112

IUPAC2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine
SMILESCOCCOCCCNCc1sccc1N
InChIInChI=1S/C11H20N2O2S/c1-14-6-7-15-5-2-4-13-9-11-10(12)3-8-16-11/h3,8,13H,2,4-7,9,12H2,1H3
InChIKeyQWJVSZHCLWQBGR-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.47
Rot. Bonds9

About 2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine

2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine (PubChem CID 66385112) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine
PubChem CID66385112
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine
SMILESCOCCOCCCNCc1sccc1N
InChIInChI=1S/C11H20N2O2S/c1-14-6-7-15-5-2-4-13-9-11-10(12)3-8-16-11/h3,8,13H,2,4-7,9,12H2,1H3
InChIKeyQWJVSZHCLWQBGR-UHFFFAOYSA-N
XLogP1.47
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine (CID 66385112) is 2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine is COCCOCCCNCc1sccc1N.
What is the InChIKey of 2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine?
The InChIKey is QWJVSZHCLWQBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-14-6-7-15-5-2-4-13-9-11-10(12)3-8-16-11/h3,8,13H,2,4-7,9,12H2,1H3.
What are the key properties of 2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine?
2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine has a molecular weight of 244.36 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethoxy)propylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66385112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).