3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine

C9H22N2OS — CID 103227178

IUPAC3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCNCC(COC)N(C)CCSC
InChIInChI=1S/C9H22N2OS/c1-10-7-9(8-12-3)11(2)5-6-13-4/h9-10H,5-8H2,1-4H3
InChIKeyFFFXKBIXXZJPIA-UHFFFAOYSA-N
MW206.35 g/mol
LogP0.52
Rot. Bonds8

About 3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine

3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine (PubChem CID 103227178) has the molecular formula C9H22N2OS and a molecular weight of 206.35 g/mol. Its IUPAC name is 3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
PubChem CID103227178
Molecular FormulaC9H22N2OS
Molecular Weight206.35 g/mol
Exact Mass206.15
IUPAC Name3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCNCC(COC)N(C)CCSC
InChIInChI=1S/C9H22N2OS/c1-10-7-9(8-12-3)11(2)5-6-13-4/h9-10H,5-8H2,1-4H3
InChIKeyFFFXKBIXXZJPIA-UHFFFAOYSA-N
XLogP0.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 103227183
3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103226184
3-methoxy-2-N-(1-methoxypropan-2-yl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225975
2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225288
2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225025
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 112665572
3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
CID 103225752
1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine
CID 112665676
2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103226030
2-N-(2-methoxyethyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62447079
3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103226150

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine (CID 103227178) is 3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine is CNCC(COC)N(C)CCSC.
What is the InChIKey of 3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The InChIKey is FFFXKBIXXZJPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2OS/c1-10-7-9(8-12-3)11(2)5-6-13-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine has a molecular weight of 206.35 g/mol, XLogP of 0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine is sourced from PubChem (CID 103227178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).