N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine

C17H30N2S — CID 115987446

IUPACN'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCSC)c1ccccc1C
InChIInChI=1S/C17H30N2S/c1-5-11-18-17(10-12-19(3)13-14-20-4)16-9-7-6-8-15(16)2/h6-9,17-18H,5,10-14H2,1-4H3
InChIKeyJSWFWIZJVBHVBN-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.72
Rot. Bonds10

About N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine

N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine (PubChem CID 115987446) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
PubChem CID115987446
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCSC)c1ccccc1C
InChIInChI=1S/C17H30N2S/c1-5-11-18-17(10-12-19(3)13-14-20-4)16-9-7-6-8-15(16)2/h6-9,17-18H,5,10-14H2,1-4H3
InChIKeyJSWFWIZJVBHVBN-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63483080
1-(4-bromophenyl)-N'-methyl-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987438
1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112664674
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine?
The IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine (CID 115987446) is N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine is CCCNC(CCN(C)CCSC)c1ccccc1C.
What is the InChIKey of N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine?
The InChIKey is JSWFWIZJVBHVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-11-18-17(10-12-19(3)13-14-20-4)16-9-7-6-8-15(16)2/h6-9,17-18H,5,10-14H2,1-4H3.
What are the key properties of N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine?
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine has a molecular weight of 294.51 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine is sourced from PubChem (CID 115987446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).