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

C13H22N2S — CID 116946507

IUPAC2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine
SMILESCCC(CNC)C(N)c1ccc(SC)cc1
InChIInChI=1S/C13H22N2S/c1-4-10(9-15-2)13(14)11-5-7-12(16-3)8-6-11/h5-8,10,13,15H,4,9,14H2,1-3H3
InChIKeyQNNLAUREYSGZBZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.65
Rot. Bonds6

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

2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine (PubChem CID 116946507) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine
PubChem CID116946507
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine
SMILESCCC(CNC)C(N)c1ccc(SC)cc1
InChIInChI=1S/C13H22N2S/c1-4-10(9-15-2)13(14)11-5-7-12(16-3)8-6-11/h5-8,10,13,15H,4,9,14H2,1-3H3
InChIKeyQNNLAUREYSGZBZ-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
CID 116946508
2-ethyl-1-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 116946443
(1R)-2-methyl-1-(4-methylsulfanylphenyl)butan-1-amine;hydrochloride
CID 171212740
N-methyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-amine
CID 116931850
ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene
CID 142196125
(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol
CID 55270641
2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 115254806
N'-methyl-1-(4-methylsulfanylphenyl)butane-1,4-diamine
CID 116933901
1-(4-methylsulfanylphenyl)propan-1-ol
CID 55269333
1-butan-2-yl-4-methylsulfanylbenzene;ethane
CID 143774583
hydrazinyl-(4-methylsulfanylphenyl)methanamine
CID 116947480
2-ethyl-1-(4-iodophenyl)butan-1-amine
CID 105013714

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine (CID 116946507) is 2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine is CCC(CNC)C(N)c1ccc(SC)cc1.
What is the InChIKey of 2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine?
The InChIKey is QNNLAUREYSGZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-10(9-15-2)13(14)11-5-7-12(16-3)8-6-11/h5-8,10,13,15H,4,9,14H2,1-3H3.
What are the key properties of 2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine?
2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116946507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).