N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine

C16H28N2OS — CID 102746120

IUPACN-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCC1(C)CN(CCNCCc2ccsc2)CC(C)(C)O1
InChIInChI=1S/C16H28N2OS/c1-15(2)12-18(13-16(3,4)19-15)9-8-17-7-5-14-6-10-20-11-14/h6,10-11,17H,5,7-9,12-13H2,1-4H3
InChIKeyYBDMFMSRLROKHA-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine

N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 102746120) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
PubChem CID102746120
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCC1(C)CN(CCNCCc2ccsc2)CC(C)(C)O1
InChIInChI=1S/C16H28N2OS/c1-15(2)12-18(13-16(3,4)19-15)9-8-17-7-5-14-6-10-20-11-14/h6,10-11,17H,5,7-9,12-13H2,1-4H3
InChIKeyYBDMFMSRLROKHA-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine
CID 104961122
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 65286725
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62556525
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 55085249
N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102968363
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62567147
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62576069
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one
CID 114217450
1-[2-(2-thiophen-3-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280215
6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine
CID 114780725

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine (CID 102746120) is N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine is CC1(C)CN(CCNCCc2ccsc2)CC(C)(C)O1.
What is the InChIKey of N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is YBDMFMSRLROKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-15(2)12-18(13-16(3,4)19-15)9-8-17-7-5-14-6-10-20-11-14/h6,10-11,17H,5,7-9,12-13H2,1-4H3.
What are the key properties of N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 296.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 102746120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).