4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine

C10H22N2OS — CID 112661242

IUPAC4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine
SMILESCSCC(C)N(C)CC1COCC1N
InChIInChI=1S/C10H22N2OS/c1-8(7-14-3)12(2)4-9-5-13-6-10(9)11/h8-10H,4-7,11H2,1-3H3
InChIKeyQCYJYXRQFSWYAS-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.64
Rot. Bonds5

About 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine

4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine (PubChem CID 112661242) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine
PubChem CID112661242
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine
SMILESCSCC(C)N(C)CC1COCC1N
InChIInChI=1S/C10H22N2OS/c1-8(7-14-3)12(2)4-9-5-13-6-10(9)11/h8-10H,4-7,11H2,1-3H3
InChIKeyQCYJYXRQFSWYAS-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

Analyze 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine with MolForge

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Related Compounds

2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189582
4-[(dimethylamino)methyl]oxolan-3-amine
CID 66237318
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
CID 154842546
N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 112664985
4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 115987570
4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine
CID 66236926
2-methyl-N-[[5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 112665944
4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 112665039
4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine
CID 66236915
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66236322
N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine
CID 102819660
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665945

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine (CID 112661242) is 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine is CSCC(C)N(C)CC1COCC1N.
What is the InChIKey of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine?
The InChIKey is QCYJYXRQFSWYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(7-14-3)12(2)4-9-5-13-6-10(9)11/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine?
4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-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 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 112661242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).