N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine

C12H20N2S — CID 142074179

IUPACN,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine
SMILESCSc1ccccc1N(C)CCN(C)C
InChIInChI=1S/C12H20N2S/c1-13(2)9-10-14(3)11-7-5-6-8-12(11)15-4/h5-8H,9-10H2,1-4H3
InChIKeyNXMSWBQGRNMWFA-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.41
Rot. Bonds5

About N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine (PubChem CID 142074179) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine
PubChem CID142074179
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine
SMILESCSc1ccccc1N(C)CCN(C)C
InChIInChI=1S/C12H20N2S/c1-13(2)9-10-14(3)11-7-5-6-8-12(11)15-4/h5-8H,9-10H2,1-4H3
InChIKeyNXMSWBQGRNMWFA-UHFFFAOYSA-N
XLogP2.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 55247342
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925
N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine
CID 63699905
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
CID 115995247
2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid
CID 107424030
N'-(2,6-dimethyl-3-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 142358550
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954
(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
CID 78948192
N'-(2-methoxy-3-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 138561550
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine (CID 142074179) is N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine is CSc1ccccc1N(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine?
The InChIKey is NXMSWBQGRNMWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-13(2)9-10-14(3)11-7-5-6-8-12(11)15-4/h5-8H,9-10H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine has a molecular weight of 224.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(2-methylsulfanylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 142074179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).