1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine

C11H26N2S — CID 112664734

IUPAC1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)CCSC
InChIInChI=1S/C11H26N2S/c1-10(12-4)11(2,3)9-13(5)7-8-14-6/h10,12H,7-9H2,1-6H3
InChIKeyWFFXYTNCOFAPQD-UHFFFAOYSA-N
MW218.41 g/mol
LogP1.92
Rot. Bonds7

About 1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine

1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine (PubChem CID 112664734) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is 1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine
PubChem CID112664734
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC Name1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)CCSC
InChIInChI=1S/C11H26N2S/c1-10(12-4)11(2,3)9-13(5)7-8-14-6/h10,12H,7-9H2,1-6H3
InChIKeyWFFXYTNCOFAPQD-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-methoxyethyl)-1-N,3-N,2,2-tetramethylbutane-1,3-diamine
CID 66453869
1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 66453884
1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 66455555
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine
CID 112664642
2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol
CID 104554746
methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate
CID 112661457
2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal
CID 112664480
1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 66452759
N'-methyl-N-(4-methylpentyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666034
N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666080
1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine
CID 66455349

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine (CID 112664734) is 1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine is CNC(C)C(C)(C)CN(C)CCSC.
What is the InChIKey of 1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine?
The InChIKey is WFFXYTNCOFAPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-10(12-4)11(2,3)9-13(5)7-8-14-6/h10,12H,7-9H2,1-6H3.
What are the key properties of 1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine?
1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine has a molecular weight of 218.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine is sourced from PubChem (CID 112664734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).