N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine

C8H13ClN2S — CID 115226192

IUPACN'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine
SMILESCN(CN)CCc1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-11(6-10)5-4-7-2-3-8(9)12-7/h2-3H,4-6,10H2,1H3
InChIKeyDPXNXXSDKCUBAL-UHFFFAOYSA-N
MW204.73 g/mol
LogP1.79
Rot. Bonds4

About N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine

N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine (PubChem CID 115226192) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine
PubChem CID115226192
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC NameN'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine
SMILESCN(CN)CCc1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-11(6-10)5-4-7-2-3-8(9)12-7/h2-3H,4-6,10H2,1H3
InChIKeyDPXNXXSDKCUBAL-UHFFFAOYSA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120093
2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol
CID 115120936
2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylethanamine
CID 81322722
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133007
2-(5-chlorothiophen-2-yl)ethanethiol
CID 55275169
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139413
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine
CID 79478506
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
N'-[(5-chlorothiophen-2-yl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253875
2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 55103655
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine?
The IUPAC name of N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine (CID 115226192) is N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine is CN(CN)CCc1ccc(Cl)s1.
What is the InChIKey of N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine?
The InChIKey is DPXNXXSDKCUBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-11(6-10)5-4-7-2-3-8(9)12-7/h2-3H,4-6,10H2,1H3.
What are the key properties of N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine?
N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine has a molecular weight of 204.73 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine is sourced from PubChem (CID 115226192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).