N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine

C20H24N2S2 — CID 171442406

IUPACN,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccsc1)Cc1cccc(-c2ccsc2)c1
InChIInChI=1S/C20H24N2S2/c1-21(2)8-9-22(14-18-6-10-23-15-18)13-17-4-3-5-19(12-17)20-7-11-24-16-20/h3-7,10-12,15-16H,8-9,13-14H2,1-2H3
InChIKeyYEPXMZHXWLNFBP-UHFFFAOYSA-N
MW356.56 g/mol
LogP5.04
Rot. Bonds8

About N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine

N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine (PubChem CID 171442406) has the molecular formula C20H24N2S2 and a molecular weight of 356.56 g/mol. Its IUPAC name is N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine
PubChem CID171442406
Molecular FormulaC20H24N2S2
Molecular Weight356.56 g/mol
Exact Mass356.14
IUPAC NameN,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccsc1)Cc1cccc(-c2ccsc2)c1
InChIInChI=1S/C20H24N2S2/c1-21(2)8-9-22(14-18-6-10-23-15-18)13-17-4-3-5-19(12-17)20-7-11-24-16-20/h3-7,10-12,15-16H,8-9,13-14H2,1-2H3
InChIKeyYEPXMZHXWLNFBP-UHFFFAOYSA-N
XLogP5.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

5-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]-2-hydroxybenzoic acid
CID 46995914
3-[3-(2-methylpropyl)phenyl]thiophene
CID 20771915
N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 46989151
N'-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 46999615
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 46993076
ethane;3-(3-methylphenyl)thiophene
CID 143181540
N,N-dimethyl-N'-[[(3R)-oxolan-3-yl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 95046355
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
methyl 2-(3-thiophen-3-ylphenyl)acetate
CID 141177375
cyclopenta[c]thiopyran
CID 584139
3-(3-methylphenyl)thiophene
CID 4130346
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 70827126

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine (CID 171442406) is N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine is CN(C)CCN(Cc1ccsc1)Cc1cccc(-c2ccsc2)c1.
What is the InChIKey of N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is YEPXMZHXWLNFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2S2/c1-21(2)8-9-22(14-18-6-10-23-15-18)13-17-4-3-5-19(12-17)20-7-11-24-16-20/h3-7,10-12,15-16H,8-9,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 356.56 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 171442406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).