N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine

C11H26N2S — CID 112666080

IUPACN'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)CCNCCC(C)C
InChIInChI=1S/C11H26N2S/c1-11(2)5-6-12-7-8-13(3)9-10-14-4/h11-12H,5-10H2,1-4H3
InChIKeyYXDJJDVRNHUSNJ-UHFFFAOYSA-N
MW218.41 g/mol
LogP1.92
Rot. Bonds9

About N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine

N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 112666080) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID112666080
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC NameN'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)CCNCCC(C)C
InChIInChI=1S/C11H26N2S/c1-11(2)5-6-12-7-8-13(3)9-10-14-4/h11-12H,5-10H2,1-4H3
InChIKeyYXDJJDVRNHUSNJ-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(4-methylpentyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666034
N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine
CID 112666040
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine
CID 112663777
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
3-methyl-N-(methylsulfanylmethyl)butan-1-amine
CID 156577622
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62575619
N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62557410
N,N,3,3-tetramethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 170444078
2-methyl-N-[[1-[[methyl(2-methylsulfanylethyl)amino]methyl]cycloheptyl]methyl]propan-1-amine
CID 115987410

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 112666080) is N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCN(C)CCNCCC(C)C.
What is the InChIKey of N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is YXDJJDVRNHUSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-11(2)5-6-12-7-8-13(3)9-10-14-4/h11-12H,5-10H2,1-4H3.
What are the key properties of N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 218.41 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 112666080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).