N'-methyl-N'-thiophen-2-ylethane-1,2-diamine

C7H12N2S — CID 96634753

IUPACN'-methyl-N'-thiophen-2-ylethane-1,2-diamine
SMILESCN(CCN)c1cccs1
InChIInChI=1S/C7H12N2S/c1-9(5-4-8)7-3-2-6-10-7/h2-3,6H,4-5,8H2,1H3
InChIKeyRHQLWMPJZLUPCI-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.14
Rot. Bonds3

About N'-methyl-N'-thiophen-2-ylethane-1,2-diamine

N'-methyl-N'-thiophen-2-ylethane-1,2-diamine (PubChem CID 96634753) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N'-methyl-N'-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-thiophen-2-ylethane-1,2-diamine
PubChem CID96634753
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN'-methyl-N'-thiophen-2-ylethane-1,2-diamine
SMILESCN(CCN)c1cccs1
InChIInChI=1S/C7H12N2S/c1-9(5-4-8)7-3-2-6-10-7/h2-3,6H,4-5,8H2,1H3
InChIKeyRHQLWMPJZLUPCI-UHFFFAOYSA-N
XLogP1.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine
CID 115201070
1-N,4-dimethyl-1-N-thiophen-2-ylpentane-1,4-diamine
CID 115205209
[methyl(thiophen-2-yl)amino]methanethiol
CID 115227704
N-(3-fluoroprop-2-enyl)-N-methylthiophen-2-amine
CID 174259551
N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine
CID 68911327
N-methyl-N-(2-morpholin-3-ylethyl)thiophen-2-amine
CID 115238898
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 103279513
N-methyl-N-(pyridin-3-ylmethyl)thiophen-2-amine
CID 154729661
2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine
CID 115254855
N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 19855595
[3-[[methyl(thiophen-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248861

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-thiophen-2-ylethane-1,2-diamine (CID 96634753) is N'-methyl-N'-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-thiophen-2-ylethane-1,2-diamine is CN(CCN)c1cccs1.
What is the InChIKey of N'-methyl-N'-thiophen-2-ylethane-1,2-diamine?
The InChIKey is RHQLWMPJZLUPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-9(5-4-8)7-3-2-6-10-7/h2-3,6H,4-5,8H2,1H3.
What are the key properties of N'-methyl-N'-thiophen-2-ylethane-1,2-diamine?
N'-methyl-N'-thiophen-2-ylethane-1,2-diamine has a molecular weight of 156.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 96634753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).