1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine

C16H28N2OS — CID 102742972

IUPAC1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CC(C)(C)OC(C)(C)C2)s1
InChIInChI=1S/C16H28N2OS/c1-11-7-8-13(20-11)14(12(2)17)18-9-15(3,4)19-16(5,6)10-18/h7-8,12,14H,9-10,17H2,1-6H3
InChIKeyRPWHZYZMUKXEQI-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.33
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine

1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine (PubChem CID 102742972) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine
PubChem CID102742972
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CC(C)(C)OC(C)(C)C2)s1
InChIInChI=1S/C16H28N2OS/c1-11-7-8-13(20-11)14(12(2)17)18-9-15(3,4)19-16(5,6)10-18/h7-8,12,14H,9-10,17H2,1-6H3
InChIKeyRPWHZYZMUKXEQI-UHFFFAOYSA-N
XLogP3.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
CID 63603653
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 107453388
1-(3-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine
CID 102743026
1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol
CID 112624537
1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 62198523
1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 63603641
2-[2-amino-1-(5-methylthiophen-2-yl)propyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81098756
1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
CID 102742955
1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62128654
1-(5-methylthiophen-2-yl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
CID 114592174
4-[1-(5-methylthiophen-2-yl)ethyl]morpholine-2,6-dione
CID 63788366
(1S,2R)-1-amino-1-(5-methylthiophen-2-yl)propan-2-ol
CID 130969879

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine (CID 102742972) is 1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine is Cc1ccc(C(C(C)N)N2CC(C)(C)OC(C)(C)C2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine?
The InChIKey is RPWHZYZMUKXEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-11-7-8-13(20-11)14(12(2)17)18-9-15(3,4)19-16(5,6)10-18/h7-8,12,14H,9-10,17H2,1-6H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine?
1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine is sourced from PubChem (CID 102742972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).