N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine

C15H26N2OS — CID 79657789

IUPACN-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine
SMILESCCCN1CCOC(C(Cc2cccs2)NCC)C1
InChIInChI=1S/C15H26N2OS/c1-3-7-17-8-9-18-15(12-17)14(16-4-2)11-13-6-5-10-19-13/h5-6,10,14-16H,3-4,7-9,11-12H2,1-2H3
InChIKeyMRCBQDXWEPVGHG-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.38
Rot. Bonds7

About N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine

N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 79657789) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine
PubChem CID79657789
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine
SMILESCCCN1CCOC(C(Cc2cccs2)NCC)C1
InChIInChI=1S/C15H26N2OS/c1-3-7-17-8-9-18-15(12-17)14(16-4-2)11-13-6-5-10-19-13/h5-6,10,14-16H,3-4,7-9,11-12H2,1-2H3
InChIKeyMRCBQDXWEPVGHG-UHFFFAOYSA-N
XLogP2.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine (CID 79657789) is N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine is CCCN1CCOC(C(Cc2cccs2)NCC)C1.
What is the InChIKey of N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is MRCBQDXWEPVGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-3-7-17-8-9-18-15(12-17)14(16-4-2)11-13-6-5-10-19-13/h5-6,10,14-16H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine?
N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 282.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79657789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).