2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine

C11H20N2S — CID 115254855

IUPAC2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine
SMILESCCC(CNC)CN(C)c1cccs1
InChIInChI=1S/C11H20N2S/c1-4-10(8-12-2)9-13(3)11-6-5-7-14-11/h5-7,10,12H,4,8-9H2,1-3H3
InChIKeySYPFTKAMBWFNGN-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.43
Rot. Bonds6

About 2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine

2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine (PubChem CID 115254855) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine
PubChem CID115254855
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine
SMILESCCC(CNC)CN(C)c1cccs1
InChIInChI=1S/C11H20N2S/c1-4-10(8-12-2)9-13(3)11-6-5-7-14-11/h5-7,10,12H,4,8-9H2,1-3H3
InChIKeySYPFTKAMBWFNGN-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
[methyl(thiophen-2-yl)amino]methanethiol
CID 115227704
N'-methyl-N'-thiophen-2-ylethane-1,2-diamine
CID 96634753
2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62578598
2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115254869
N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255075
2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 115255184
N-(3-fluoroprop-2-enyl)-N-methylthiophen-2-amine
CID 174259551
N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine
CID 115201070
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine (CID 115254855) is 2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine is CCC(CNC)CN(C)c1cccs1.
What is the InChIKey of 2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine?
The InChIKey is SYPFTKAMBWFNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-10(8-12-2)9-13(3)11-6-5-7-14-11/h5-7,10,12H,4,8-9H2,1-3H3.
What are the key properties of 2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine?
2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N'-dimethyl-N'-thiophen-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115254855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).