2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine

C12H26N2OS — CID 61424177

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
SMILESCCC1COC(C)CN1C(CN)CCSC
InChIInChI=1S/C12H26N2OS/c1-4-11-9-15-10(2)8-14(11)12(7-13)5-6-16-3/h10-12H,4-9,13H2,1-3H3
InChIKeyJIZRCIGJKUIXJF-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.57
Rot. Bonds6

About 2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine

2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine (PubChem CID 61424177) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
PubChem CID61424177
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
SMILESCCC1COC(C)CN1C(CN)CCSC
InChIInChI=1S/C12H26N2OS/c1-4-11-9-15-10(2)8-14(11)12(7-13)5-6-16-3/h10-12H,4-9,13H2,1-3H3
InChIKeyJIZRCIGJKUIXJF-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine (CID 61424177) is 2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine is CCC1COC(C)CN1C(CN)CCSC.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The InChIKey is JIZRCIGJKUIXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-4-11-9-15-10(2)8-14(11)12(7-13)5-6-16-3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine has a molecular weight of 246.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 61424177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).