3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine

C10H22N2OS — CID 103060776

IUPAC3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine
SMILESCSCCN(C)CC1COCCC1N
InChIInChI=1S/C10H22N2OS/c1-12(4-6-14-2)7-9-8-13-5-3-10(9)11/h9-10H,3-8,11H2,1-2H3
InChIKeyJNMLMXYEWCFJLR-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.64
Rot. Bonds5

About 3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine

3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine (PubChem CID 103060776) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound Name3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine
PubChem CID103060776
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine
SMILESCSCCN(C)CC1COCCC1N
InChIInChI=1S/C10H22N2OS/c1-12(4-6-14-2)7-9-8-13-5-3-10(9)11/h9-10H,3-8,11H2,1-2H3
InChIKeyJNMLMXYEWCFJLR-UHFFFAOYSA-N
XLogP0.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol
CID 103060860
4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
CID 112664797
2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 112664707
3-(diethylaminomethyl)oxan-4-amine
CID 83619174
N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 103061096
3-[[(2-bromophenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059515
3-[[butyl(methyl)amino]methyl]oxan-4-ol
CID 103061166
3-N-ethyl-3-N-methyloxane-3,4-diamine
CID 43608817
N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 103059874
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
4-bromo-3-(2-methylsulfanylethyl)oxane
CID 106471751
4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
CID 112664680

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine?
The IUPAC name of 3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine (CID 103060776) is 3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine.
What is the SMILES notation for 3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine?
The canonical SMILES for 3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine is CSCCN(C)CC1COCCC1N.
What is the InChIKey of 3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine?
The InChIKey is JNMLMXYEWCFJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-12(4-6-14-2)7-9-8-13-5-3-10(9)11/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine?
3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine has a molecular weight of 218.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 103060776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).