2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine

C9H22N2OS — CID 106114990

IUPAC2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
SMILESCOC(CN)CN(C)C(C)CSC
InChIInChI=1S/C9H22N2OS/c1-8(7-13-4)11(2)6-9(5-10)12-3/h8-9H,5-7,10H2,1-4H3
InChIKeyPTQCDVPCLIIVLS-UHFFFAOYSA-N
MW206.35 g/mol
LogP0.64
Rot. Bonds7

About 2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine

2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine (PubChem CID 106114990) has the molecular formula C9H22N2OS and a molecular weight of 206.35 g/mol. Its IUPAC name is 2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
PubChem CID106114990
Molecular FormulaC9H22N2OS
Molecular Weight206.35 g/mol
Exact Mass206.15
IUPAC Name2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
SMILESCOC(CN)CN(C)C(C)CSC
InChIInChI=1S/C9H22N2OS/c1-8(7-13-4)11(2)6-9(5-10)12-3/h8-9H,5-7,10H2,1-4H3
InChIKeyPTQCDVPCLIIVLS-UHFFFAOYSA-N
XLogP0.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112658794
2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
CID 106114512
2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 159359399
2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112661269
N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 114145294
N'-ethyl-2-methoxy-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 106114714
N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112661159
(2S)-2-methoxybutan-1-amine
CID 42427147
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide
CID 112666689
2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63069851
2,5-dimethoxyhexane-1,6-diamine
CID 141495487

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The IUPAC name of 2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine (CID 106114990) is 2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine is COC(CN)CN(C)C(C)CSC.
What is the InChIKey of 2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The InChIKey is PTQCDVPCLIIVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2OS/c1-8(7-13-4)11(2)6-9(5-10)12-3/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine has a molecular weight of 206.35 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 106114990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).