N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine

C16H28N2OS — CID 80728050

IUPACN-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CC(C)OC(C)(C)C2)c(C)s1
InChIInChI=1S/C16H28N2OS/c1-6-17-8-15-7-14(13(3)20-15)10-18-9-12(2)19-16(4,5)11-18/h7,12,17H,6,8-11H2,1-5H3
InChIKeyHOQWUXCIUWNIPX-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.17
Rot. Bonds5

About N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine

N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 80728050) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID80728050
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CC(C)OC(C)(C)C2)c(C)s1
InChIInChI=1S/C16H28N2OS/c1-6-17-8-15-7-14(13(3)20-15)10-18-9-12(2)19-16(4,5)11-18/h7,12,17H,6,8-11H2,1-5H3
InChIKeyHOQWUXCIUWNIPX-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 55072759
N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62435983
N-[[5-methyl-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80727922
N-[[5-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62435098
4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 112553577
N-[[5-methyl-4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 80719688
N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62436871
5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 63583647
N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80729952
N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 103503337
3-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophene-2-carboxylic acid
CID 55246853
N-ethyl-3-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 55075566

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine (CID 80728050) is N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine is CCNCc1cc(CN2CC(C)OC(C)(C)C2)c(C)s1.
What is the InChIKey of N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is HOQWUXCIUWNIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-6-17-8-15-7-14(13(3)20-15)10-18-9-12(2)19-16(4,5)11-18/h7,12,17H,6,8-11H2,1-5H3.
What are the key properties of N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 296.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 80728050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).