N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C15H22N2OS2 — CID 62843433

IUPACN-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC(c1cccs1)c1cccs1
InChIInChI=1S/C15H22N2OS2/c1-17(9-10-18-2)8-7-16-15(13-5-3-11-19-13)14-6-4-12-20-14/h3-6,11-12,15-16H,7-10H2,1-2H3
InChIKeySKZZYGYNQDOQAR-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.07
Rot. Bonds9

About N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62843433) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62843433
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC NameN-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC(c1cccs1)c1cccs1
InChIInChI=1S/C15H22N2OS2/c1-17(9-10-18-2)8-7-16-15(13-5-3-11-19-13)14-6-4-12-20-14/h3-6,11-12,15-16H,7-10H2,1-2H3
InChIKeySKZZYGYNQDOQAR-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine
CID 62844478
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
2-[(3-methoxypropylamino)-thiophen-2-ylmethyl]benzenethiol
CID 163239844
N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560212
N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503
1-(dithiophen-2-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 106249456
N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine
CID 60816965
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62843433) is N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNC(c1cccs1)c1cccs1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is SKZZYGYNQDOQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-17(9-10-18-2)8-7-16-15(13-5-3-11-19-13)14-6-4-12-20-14/h3-6,11-12,15-16H,7-10H2,1-2H3.
What are the key properties of N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 310.49 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62843433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).