N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane

C11H32N2OS — CID 145388824

IUPACN',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane
SMILESCC.CC.CN(C)CCCN.CS(C)=O
InChIInChI=1S/C5H14N2.C2H6OS.2C2H6/c1-7(2)5-3-4-6;1-4(2)3;2*1-2/h3-6H2,1-2H3;1-2H3;2*1-2H3
InChIKeyUHWXVPUFWCARFL-UHFFFAOYSA-N
MW240.46 g/mol
LogP1.94
Rot. Bonds3

About N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane

N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane (PubChem CID 145388824) has the molecular formula C11H32N2OS and a molecular weight of 240.46 g/mol. Its IUPAC name is N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane.

Molecular Properties

Compound NameN',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane
PubChem CID145388824
Molecular FormulaC11H32N2OS
Molecular Weight240.46 g/mol
Exact Mass240.22
IUPAC NameN',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane
SMILESCC.CC.CN(C)CCCN.CS(C)=O
InChIInChI=1S/C5H14N2.C2H6OS.2C2H6/c1-7(2)5-3-4-6;1-4(2)3;2*1-2/h3-6H2,1-2H3;1-2H3;2*1-2H3
InChIKeyUHWXVPUFWCARFL-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-N-methylpropan-1-amine
CID 131126138
N-[3-(dimethylamino)propyl]methanesulfinamide;ethane
CID 145388779
3-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane
CID 145388867
N'-[[[[3-aminopropyl(methyl)amino]methyl-dimethyl-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
CID 170954460
N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
CID 170954473
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine
CID 171794530
N-[3-(dimethylamino)propyl]methanesulfinamide
CID 145388780
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
CID 171794531

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane?
The IUPAC name of N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane (CID 145388824) is N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane.
What is the SMILES notation for N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane?
The canonical SMILES for N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane is CC.CC.CN(C)CCCN.CS(C)=O.
What is the InChIKey of N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane?
The InChIKey is UHWXVPUFWCARFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C2H6OS.2C2H6/c1-7(2)5-3-4-6;1-4(2)3;2*1-2/h3-6H2,1-2H3;1-2H3;2*1-2H3.
What are the key properties of N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane?
N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane has a molecular weight of 240.46 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane is sourced from PubChem (CID 145388824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).