N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

C15H26N2OS — CID 80526746

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCCN1CCOC(CNCC(C)(C)c2cccs2)C1
InChIInChI=1S/C15H26N2OS/c1-4-17-7-8-18-13(11-17)10-16-12-15(2,3)14-6-5-9-19-14/h5-6,9,13,16H,4,7-8,10-12H2,1-3H3
InChIKeyZFDXHKHLLIBWPY-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.34
Rot. Bonds6

About N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 80526746) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID80526746
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCCN1CCOC(CNCC(C)(C)c2cccs2)C1
InChIInChI=1S/C15H26N2OS/c1-4-17-7-8-18-13(11-17)10-16-12-15(2,3)14-6-5-9-19-14/h5-6,9,13,16H,4,7-8,10-12H2,1-3H3
InChIKeyZFDXHKHLLIBWPY-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 114399605
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115363535
N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 78960579
N-[(4-ethylmorpholin-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79164854
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine
CID 114164317
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79165106
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 80526746) is N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is CCN1CCOC(CNCC(C)(C)c2cccs2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is ZFDXHKHLLIBWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-17-7-8-18-13(11-17)10-16-12-15(2,3)14-6-5-9-19-14/h5-6,9,13,16H,4,7-8,10-12H2,1-3H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 80526746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).