3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine

C13H28N2S — CID 81019489

IUPAC3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)C(C)N1CC(C)SC(C)C1
InChIInChI=1S/C13H28N2S/c1-6-14-7-10(2)13(5)15-8-11(3)16-12(4)9-15/h10-14H,6-9H2,1-5H3
InChIKeyVGTCNCOFKSUXAI-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.45
Rot. Bonds5

About 3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine

3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 81019489) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine
PubChem CID81019489
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)C(C)N1CC(C)SC(C)C1
InChIInChI=1S/C13H28N2S/c1-6-14-7-10(2)13(5)15-8-11(3)16-12(4)9-15/h10-14H,6-9H2,1-5H3
InChIKeyVGTCNCOFKSUXAI-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine
CID 81012639
N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine
CID 81018637
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 81019358
N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
CID 81019015
3-(4-tert-butylpiperidin-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81012728
N-ethyl-2-methyl-3-(1,4-oxazepan-4-yl)butan-1-amine
CID 81019597
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-methylbutan-1-amine
CID 81011975
3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine
CID 81011282
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethylpropan-1-amine
CID 104960968
N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine
CID 103227271
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethylpentan-1-amine
CID 104961018
3-(4-ethylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012074

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine (CID 81019489) is 3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine is CCNCC(C)C(C)N1CC(C)SC(C)C1.
What is the InChIKey of 3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is VGTCNCOFKSUXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-6-14-7-10(2)13(5)15-8-11(3)16-12(4)9-15/h10-14H,6-9H2,1-5H3.
What are the key properties of 3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine?
3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 81019489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).