2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine

C14H24N2S — CID 115254807

IUPAC2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCSc1ccc(NCC(CC)CNC)cc1
InChIInChI=1S/C14H24N2S/c1-4-12(10-15-3)11-16-13-6-8-14(9-7-13)17-5-2/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyBXSVRWJMADNPKM-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.46
Rot. Bonds8

About 2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine

2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 115254807) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID115254807
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCSc1ccc(NCC(CC)CNC)cc1
InChIInChI=1S/C14H24N2S/c1-4-12(10-15-3)11-16-13-6-8-14(9-7-13)17-5-2/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyBXSVRWJMADNPKM-UHFFFAOYSA-N
XLogP3.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-methyl-N'-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 115254806
2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine
CID 115254758
N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 115198290
3-(4-ethylsulfanylanilino)-2-methylpropanoic acid
CID 115219261
2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115254752
2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
CID 116946508
N-methyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-amine
CID 116931850
2-ethyl-N-(3-fluoro-4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 115254755
4-(4-ethylsulfanylanilino)butanenitrile
CID 115231467
N'-(4-ethylsulfanylphenyl)propane-1,3-diamine
CID 98783323
2-[(4-ethylsulfanylphenyl)methyl]butan-1-amine
CID 116930905
N-[(2R)-2-(methylsulfanylmethyl)butyl]aniline
CID 100920930

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine (CID 115254807) is 2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine is CCSc1ccc(NCC(CC)CNC)cc1.
What is the InChIKey of 2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is BXSVRWJMADNPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-12(10-15-3)11-16-13-6-8-14(9-7-13)17-5-2/h6-9,12,15-16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine?
2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115254807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).