N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine

C15H22N4OS — CID 71931744

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine
SMILESCN(Cc1ncc[nH]1)CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C15H22N4OS/c1-18(12-15-16-4-5-17-15)11-13(14-3-2-10-21-14)19-6-8-20-9-7-19/h2-5,10,13H,6-9,11-12H2,1H3,(H,16,17)
InChIKeyZASXJMZZYJXICS-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.98
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine (PubChem CID 71931744) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine
PubChem CID71931744
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine
SMILESCN(Cc1ncc[nH]1)CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C15H22N4OS/c1-18(12-15-16-4-5-17-15)11-13(14-3-2-10-21-14)19-6-8-20-9-7-19/h2-5,10,13H,6-9,11-12H2,1H3,(H,16,17)
InChIKeyZASXJMZZYJXICS-UHFFFAOYSA-N
XLogP1.98
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine (CID 71931744) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine is CN(Cc1ncc[nH]1)CC(c1cccs1)N1CCOCC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The InChIKey is ZASXJMZZYJXICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-18(12-15-16-4-5-17-15)11-13(14-3-2-10-21-14)19-6-8-20-9-7-19/h2-5,10,13H,6-9,11-12H2,1H3,(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine has a molecular weight of 306.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 71931744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).