2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine

C8H19NO2S — CID 112661895

IUPAC2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine
SMILESCOC(CN(C)CCSC)OC
InChIInChI=1S/C8H19NO2S/c1-9(5-6-12-4)7-8(10-2)11-3/h8H,5-7H2,1-4H3
InChIKeyCWKBBDVZXMVNNA-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.90
Rot. Bonds7

About 2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine

2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 112661895) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine
PubChem CID112661895
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine
SMILESCOC(CN(C)CCSC)OC
InChIInChI=1S/C8H19NO2S/c1-9(5-6-12-4)7-8(10-2)11-3/h8H,5-7H2,1-4H3
InChIKeyCWKBBDVZXMVNNA-UHFFFAOYSA-N
XLogP0.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
N'-(2,2-dimethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 66224074
2,2-dimethoxy-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81057838
3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol
CID 112706126
N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 66222785
2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoic acid
CID 112661463
N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine
CID 112663777
N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide
CID 103954998
1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol
CID 115665602
2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol
CID 101181083
N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666080
N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106313125

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of 2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine (CID 112661895) is 2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine is COC(CN(C)CCSC)OC.
What is the InChIKey of 2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is CWKBBDVZXMVNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-9(5-6-12-4)7-8(10-2)11-3/h8H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine?
2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 193.31 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 112661895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).