N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine

C12H28N2S — CID 112664642

IUPACN,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC)CN(C)CCSC
InChIInChI=1S/C12H28N2S/c1-6-7-12(2,10-13-3)11-14(4)8-9-15-5/h13H,6-11H2,1-5H3
InChIKeyTZJDEOKEWDAITC-UHFFFAOYSA-N
MW232.44 g/mol
LogP2.31
Rot. Bonds9

About N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine

N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine (PubChem CID 112664642) has the molecular formula C12H28N2S and a molecular weight of 232.44 g/mol. Its IUPAC name is N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine
PubChem CID112664642
Molecular FormulaC12H28N2S
Molecular Weight232.44 g/mol
Exact Mass232.20
IUPAC NameN,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC)CN(C)CCSC
InChIInChI=1S/C12H28N2S/c1-6-7-12(2,10-13-3)11-14(4)8-9-15-5/h13H,6-11H2,1-5H3
InChIKeyTZJDEOKEWDAITC-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol
CID 62337356
N',2-dimethyl-N,N,2-tripropylpropane-1,3-diamine
CID 62264130
N,N',2-trimethyl-N'-(2-methylbutan-2-yl)-2-propylpropane-1,3-diamine
CID 63967395
N,N',2-trimethyl-N'-[(3-methylphenyl)methyl]-2-propylpropane-1,3-diamine
CID 62271541
N,2-dimethyl-N',2-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256908
2-[[2-methyl-2-(methylaminomethyl)pentyl]-propylamino]ethanol
CID 62260772
2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal
CID 112664480
1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine
CID 112664734
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 103191300
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
N,2-dimethyl-N'-(2-methylpropyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62259022
2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol
CID 62270068

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine (CID 112664642) is N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine is CCCC(C)(CNC)CN(C)CCSC.
What is the InChIKey of N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine?
The InChIKey is TZJDEOKEWDAITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S/c1-6-7-12(2,10-13-3)11-14(4)8-9-15-5/h13H,6-11H2,1-5H3.
What are the key properties of N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine?
N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine has a molecular weight of 232.44 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 112664642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).