N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine

C10H25N3S — CID 112666040

IUPACN',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine
SMILESCSCCN(C)CCNCCN(C)C
InChIInChI=1S/C10H25N3S/c1-12(2)7-5-11-6-8-13(3)9-10-14-4/h11H,5-10H2,1-4H3
InChIKeyNLZNTAOZIGWHFH-UHFFFAOYSA-N
MW219.40 g/mol
LogP0.43
Rot. Bonds9

About N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine (PubChem CID 112666040) has the molecular formula C10H25N3S and a molecular weight of 219.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine
PubChem CID112666040
Molecular FormulaC10H25N3S
Molecular Weight219.40 g/mol
Exact Mass219.18
IUPAC NameN',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine
SMILESCSCCN(C)CCNCCN(C)C
InChIInChI=1S/C10H25N3S/c1-12(2)7-5-11-6-8-13(3)9-10-14-4/h11H,5-10H2,1-4H3
InChIKeyNLZNTAOZIGWHFH-UHFFFAOYSA-N
XLogP0.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666080
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
N'-methyl-N-(4-methylpentyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666034
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol
CID 101181083
N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine
CID 103087969
N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63007801
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
N'-benzyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 131207952
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine
CID 107757315
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine (CID 112666040) is N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine is CSCCN(C)CCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is NLZNTAOZIGWHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3S/c1-12(2)7-5-11-6-8-13(3)9-10-14-4/h11H,5-10H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 219.40 g/mol, XLogP of 0.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 112666040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).