3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine

C14H26N4S — CID 106327217

IUPAC3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1CCN1CCSCC1
InChIInChI=1S/C14H26N4S/c1-12(2)13(9-15)14-10-16-11-18(14)4-3-17-5-7-19-8-6-17/h10-13H,3-9,15H2,1-2H3
InChIKeyLHLLOVCPYJSILZ-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.63
Rot. Bonds6

About 3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine

3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine (PubChem CID 106327217) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
PubChem CID106327217
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1CCN1CCSCC1
InChIInChI=1S/C14H26N4S/c1-12(2)13(9-15)14-10-16-11-18(14)4-3-17-5-7-19-8-6-17/h10-13H,3-9,15H2,1-2H3
InChIKeyLHLLOVCPYJSILZ-UHFFFAOYSA-N
XLogP1.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine
CID 114174001
1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]ethanamine
CID 106327244
[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine
CID 106327223
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine
CID 107444106
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
CID 107444361
3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218
2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 106040953
2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444378
2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide
CID 107444292

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine (CID 106327217) is 3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine is CC(C)C(CN)c1cncn1CCN1CCSCC1.
What is the InChIKey of 3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine?
The InChIKey is LHLLOVCPYJSILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-12(2)13(9-15)14-10-16-11-18(14)4-3-17-5-7-19-8-6-17/h10-13H,3-9,15H2,1-2H3.
What are the key properties of 3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine?
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine has a molecular weight of 282.46 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 106327217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).