2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine

C12H26N2S — CID 65233273

IUPAC2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine
SMILESCC1CN(CC(CN)C(C)C)CC(C)S1
InChIInChI=1S/C12H26N2S/c1-9(2)12(5-13)8-14-6-10(3)15-11(4)7-14/h9-12H,5-8,13H2,1-4H3
InChIKeyURFBZPQDQWDWFB-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.04
Rot. Bonds4

About 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine

2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine (PubChem CID 65233273) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine
PubChem CID65233273
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine
SMILESCC1CN(CC(CN)C(C)C)CC(C)S1
InChIInChI=1S/C12H26N2S/c1-9(2)12(5-13)8-14-6-10(3)15-11(4)7-14/h9-12H,5-8,13H2,1-4H3
InChIKeyURFBZPQDQWDWFB-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine
CID 104682241
3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol
CID 115873173
1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
CID 65227991
2-[(4-ethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine
CID 65233237
3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
CID 65227933
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-3-methylbutan-1-amine
CID 79935214
[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol
CID 107443355
3-methyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 65233118
4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylthiomorpholine
CID 64759172
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine
CID 65227874
3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
CID 65233064
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine
CID 65233248

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine (CID 65233273) is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine is CC1CN(CC(CN)C(C)C)CC(C)S1.
What is the InChIKey of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is URFBZPQDQWDWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-9(2)12(5-13)8-14-6-10(3)15-11(4)7-14/h9-12H,5-8,13H2,1-4H3.
What are the key properties of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine?
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 65233273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).