2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine

C13H22N2S — CID 115254806

IUPAC2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine
SMILESCCC(CNC)CNc1ccc(SC)cc1
InChIInChI=1S/C13H22N2S/c1-4-11(9-14-2)10-15-12-5-7-13(16-3)8-6-12/h5-8,11,14-15H,4,9-10H2,1-3H3
InChIKeyZLOHJTZOFBRTRE-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.07
Rot. Bonds7

About 2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine

2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine (PubChem CID 115254806) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine
PubChem CID115254806
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine
SMILESCCC(CNC)CNc1ccc(SC)cc1
InChIInChI=1S/C13H22N2S/c1-4-11(9-14-2)10-15-12-5-7-13(16-3)8-6-12/h5-8,11,14-15H,4,9-10H2,1-3H3
InChIKeyZLOHJTZOFBRTRE-UHFFFAOYSA-N
XLogP3.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-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

2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
CID 115254807
N-methyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-amine
CID 116931850
2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine
CID 115254758
(2S)-1-(4-methylsulfanylanilino)propan-2-ol
CID 93345415
N-(2-ethylbutyl)-3-methylsulfanylaniline
CID 29289769
2-ethyl-N-(3-fluoro-4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 115254755
2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115254752
3-methyl-2-[(4-methylsulfanylanilino)methyl]butanoic acid
CID 115250206
N-[(2R)-2-(methylsulfanylmethyl)butyl]aniline
CID 100920930
N'-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107440975
N'-(4-methylsulfanylphenyl)methanediamine
CID 115225438
1-methoxy-3-(4-methylsulfanylanilino)propan-2-ol
CID 63931302

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine (CID 115254806) is 2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine is CCC(CNC)CNc1ccc(SC)cc1.
What is the InChIKey of 2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine?
The InChIKey is ZLOHJTZOFBRTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-11(9-14-2)10-15-12-5-7-13(16-3)8-6-12/h5-8,11,14-15H,4,9-10H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine?
2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine has a molecular weight of 238.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine is sourced from PubChem (CID 115254806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).