N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine

C11H20N4OS — CID 107050253

IUPACN-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)C1CSCCO1
InChIInChI=1S/C11H20N4OS/c1-3-12-10(11-8-17-5-4-16-11)6-9-7-15(2)14-13-9/h7,10-12H,3-6,8H2,1-2H3
InChIKeyPUAWEYBLXDSUOB-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.47
Rot. Bonds5

About N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine

N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 107050253) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine
PubChem CID107050253
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)C1CSCCO1
InChIInChI=1S/C11H20N4OS/c1-3-12-10(11-8-17-5-4-16-11)6-9-7-15(2)14-13-9/h7,10-12H,3-6,8H2,1-2H3
InChIKeyPUAWEYBLXDSUOB-UHFFFAOYSA-N
XLogP0.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962351
N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 107064615
N-[2-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79962360
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049480
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049504
N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 107050193
2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963248
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064143
N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 79962953
N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 82922082
3-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)-N-propylpropan-1-amine
CID 103011425
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79963875

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine (CID 107050253) is N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine is CCNC(Cc1cn(C)nn1)C1CSCCO1.
What is the InChIKey of N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is PUAWEYBLXDSUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-3-12-10(11-8-17-5-4-16-11)6-9-7-15(2)14-13-9/h7,10-12H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine?
N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine has a molecular weight of 256.37 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 107050253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).