N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine

C13H28N2OS — CID 106445405

IUPACN-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)C1CSCCN1C
InChIInChI=1S/C13H28N2OS/c1-5-6-14-12(9-16-11(2)3)13-10-17-8-7-15(13)4/h11-14H,5-10H2,1-4H3
InChIKeyVLHFXMWFYAITEY-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.83
Rot. Bonds7

About N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine

N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine (PubChem CID 106445405) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine
PubChem CID106445405
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC NameN-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)C1CSCCN1C
InChIInChI=1S/C13H28N2OS/c1-5-6-14-12(9-16-11(2)3)13-10-17-8-7-15(13)4/h11-14H,5-10H2,1-4H3
InChIKeyVLHFXMWFYAITEY-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine (CID 106445405) is N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine is CCCNC(COC(C)C)C1CSCCN1C.
What is the InChIKey of N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine?
The InChIKey is VLHFXMWFYAITEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-5-6-14-12(9-16-11(2)3)13-10-17-8-7-15(13)4/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine?
N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine has a molecular weight of 260.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 106445405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).