N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine

C13H22N2OS — CID 83100484

IUPACN-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1CCc1ccsc1
InChIInChI=1S/C13H22N2OS/c1-2-14-9-13-10-16-7-6-15(13)5-3-12-4-8-17-11-12/h4,8,11,13-14H,2-3,5-7,9-10H2,1H3
InChIKeyUJLLBBHGSCNQIG-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.60
Rot. Bonds6

About N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine

N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine (PubChem CID 83100484) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine
PubChem CID83100484
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1CCc1ccsc1
InChIInChI=1S/C13H22N2OS/c1-2-14-9-13-10-16-7-6-15(13)5-3-12-4-8-17-11-12/h4,8,11,13-14H,2-3,5-7,9-10H2,1H3
InChIKeyUJLLBBHGSCNQIG-UHFFFAOYSA-N
XLogP1.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine (CID 83100484) is N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1CCc1ccsc1.
What is the InChIKey of N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine?
The InChIKey is UJLLBBHGSCNQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-14-9-13-10-16-7-6-15(13)5-3-12-4-8-17-11-12/h4,8,11,13-14H,2-3,5-7,9-10H2,1H3.
What are the key properties of N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine?
N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 83100484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).