N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine

C14H24N2S — CID 114238373

IUPACN'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine
SMILESCSCCCN(C)CCNc1ccccc1C
InChIInChI=1S/C14H24N2S/c1-13-7-4-5-8-14(13)15-9-11-16(2)10-6-12-17-3/h4-5,7-8,15H,6,9-12H2,1-3H3
InChIKeyOPRIQHPOELQEPW-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.09
Rot. Bonds8

About N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine

N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine (PubChem CID 114238373) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine
PubChem CID114238373
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine
SMILESCSCCCN(C)CCNc1ccccc1C
InChIInChI=1S/C14H24N2S/c1-13-7-4-5-8-14(13)15-9-11-16(2)10-6-12-17-3/h4-5,7-8,15H,6,9-12H2,1-3H3
InChIKeyOPRIQHPOELQEPW-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
N',N'-diamino-N-(2-methylphenyl)ethane-1,2-diamine
CID 141424845
N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine
CID 62555257
2-bromo-3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103088274
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 62558966
N'-ethyl-N,N-dimethyl-N'-[2-(2-methylanilino)ethyl]propane-1,3-diamine
CID 102997809
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 62554031
N'-methyl-N-(3-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666020
3-(2-methylanilino)propan-1-ol
CID 18005925
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 55144815
2-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 63981409
2-fluoro-N-(3-methylsulfanylpropyl)aniline
CID 28616589

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine (CID 114238373) is N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine is CSCCCN(C)CCNc1ccccc1C.
What is the InChIKey of N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine?
The InChIKey is OPRIQHPOELQEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-13-7-4-5-8-14(13)15-9-11-16(2)10-6-12-17-3/h4-5,7-8,15H,6,9-12H2,1-3H3.
What are the key properties of N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine?
N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 114238373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).