5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine

C12H26N2S — CID 104682241

IUPAC5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine
SMILESCC(CCCN)CN1CC(C)SC(C)C1
InChIInChI=1S/C12H26N2S/c1-10(5-4-6-13)7-14-8-11(2)15-12(3)9-14/h10-12H,4-9,13H2,1-3H3
InChIKeyCUKRWVIMYIUPFB-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.19
Rot. Bonds5

About 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine

5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine (PubChem CID 104682241) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine
PubChem CID104682241
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine
SMILESCC(CCCN)CN1CC(C)SC(C)C1
InChIInChI=1S/C12H26N2S/c1-10(5-4-6-13)7-14-8-11(2)15-12(3)9-14/h10-12H,4-9,13H2,1-3H3
InChIKeyCUKRWVIMYIUPFB-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol
CID 115873173
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine
CID 65233273
4-methyl-5-(4-propan-2-ylpiperidin-1-yl)pentan-1-amine
CID 103497584
4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 104681883
5-(3-methoxypiperidin-1-yl)-4-methylpentan-1-amine
CID 102963876
4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
CID 113440626
4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylthiomorpholine
CID 64759172
3-methyl-4-thiomorpholin-4-ylbutan-1-amine
CID 80544101
5-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-1-amine
CID 107393262
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
4-methyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-amine
CID 113440631

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine?
The IUPAC name of 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine (CID 104682241) is 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine?
The canonical SMILES for 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine is CC(CCCN)CN1CC(C)SC(C)C1.
What is the InChIKey of 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine?
The InChIKey is CUKRWVIMYIUPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-10(5-4-6-13)7-14-8-11(2)15-12(3)9-14/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine?
5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 104682241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).