1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine

C11H18N2S — CID 112656745

IUPAC1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
SMILESCSCCN(C)c1ccc(C)cc1N
InChIInChI=1S/C11H18N2S/c1-9-4-5-11(10(12)8-9)13(2)6-7-14-3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyGDZHCMIQMHWJRI-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.38
Rot. Bonds4

About 1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine

1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine (PubChem CID 112656745) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
PubChem CID112656745
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
SMILESCSCCN(C)c1ccc(C)cc1N
InChIInChI=1S/C11H18N2S/c1-9-4-5-11(10(12)8-9)13(2)6-7-14-3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyGDZHCMIQMHWJRI-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.38
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-methyl-1-N-(2-methylsulfanylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 112656763
2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656826
N'-hydroxy-5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 114017229
5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 107930591
1-N,4-dimethyl-1-N-[2-(1H-pyrrol-3-yl)ethyl]benzene-1,2-diamine
CID 115125150
1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125164
1-N-[2-(5-bromo-2-methylphenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125153
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
CID 112656815
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzonitrile
CID 104712233
ethyl 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzoate
CID 112663470
methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine
CID 144540155
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 105414177

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine (CID 112656745) is 1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine is CSCCN(C)c1ccc(C)cc1N.
What is the InChIKey of 1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine?
The InChIKey is GDZHCMIQMHWJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-4-5-11(10(12)8-9)13(2)6-7-14-3/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine?
1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine has a molecular weight of 210.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine is sourced from PubChem (CID 112656745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).