2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine

C10H16N2S — CID 112656826

IUPAC2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine
SMILESCSCCN(C)c1ccccc1N
InChIInChI=1S/C10H16N2S/c1-12(7-8-13-2)10-6-4-3-5-9(10)11/h3-6H,7-8,11H2,1-2H3
InChIKeyZCXWUQQGVOMVEP-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.07
Rot. Bonds4

About 2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine

2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine (PubChem CID 112656826) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine
PubChem CID112656826
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine
SMILESCSCCN(C)c1ccccc1N
InChIInChI=1S/C10H16N2S/c1-12(7-8-13-2)10-6-4-3-5-9(10)11/h3-6H,7-8,11H2,1-2H3
InChIKeyZCXWUQQGVOMVEP-UHFFFAOYSA-N
XLogP2.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656745
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
CID 112656815
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzonitrile
CID 104712233
1-N-methyl-1-N-(2-methylsulfanylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 112656763
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662
(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
CID 103960340
2-N-methyl-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115514269
8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine
CID 112656769
methyl 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzoate
CID 112663478
2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine
CID 115124630
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618
ethyl 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzoate
CID 112663470

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine (CID 112656826) is 2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine is CSCCN(C)c1ccccc1N.
What is the InChIKey of 2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine?
The InChIKey is ZCXWUQQGVOMVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-12(7-8-13-2)10-6-4-3-5-9(10)11/h3-6H,7-8,11H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine?
2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine has a molecular weight of 196.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine is sourced from PubChem (CID 112656826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).