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

C14H24N2S — CID 116946508

IUPAC2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCSc1ccc(C(N)C(CC)CNC)cc1
InChIInChI=1S/C14H24N2S/c1-4-11(10-16-3)14(15)12-6-8-13(9-7-12)17-5-2/h6-9,11,14,16H,4-5,10,15H2,1-3H3
InChIKeyODPKNSZRSRQVMU-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.04
Rot. Bonds7

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

2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 116946508) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID116946508
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCSc1ccc(C(N)C(CC)CNC)cc1
InChIInChI=1S/C14H24N2S/c1-4-11(10-16-3)14(15)12-6-8-13(9-7-12)17-5-2/h6-9,11,14,16H,4-5,10,15H2,1-3H3
InChIKeyODPKNSZRSRQVMU-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-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'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 116946507
2-ethyl-1-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 116946443
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
2,3-diamino-3-(4-ethylsulfanylphenyl)propan-1-ol
CID 116942412
1-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 116933128
methyl 2-[amino-(4-ethylsulfanylphenyl)methyl]butanoate
CID 116946012
2-ethyl-N-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
CID 115254807
2-[amino-(4-ethylsulfanylphenyl)methyl]butanoic acid
CID 116945100
2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol
CID 116959909
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
ethane;2-ethyl-N'-methyl-1-phenylpropane-1,3-diamine;2-methylthiophene
CID 142196125
3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide
CID 116849699

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine (CID 116946508) is 2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine is CCSc1ccc(C(N)C(CC)CNC)cc1.
What is the InChIKey of 2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is ODPKNSZRSRQVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-11(10-16-3)14(15)12-6-8-13(9-7-12)17-5-2/h6-9,11,14,16H,4-5,10,15H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine?
2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 116946508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).