N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine

C11H20N2S — CID 102833204

IUPACN-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C)c1ccsc1C
InChIInChI=1S/C11H20N2S/c1-5-12-11(8-13(3)4)10-6-7-14-9(10)2/h6-7,11-12H,5,8H2,1-4H3
InChIKeyHFNZMVNOOKXMIR-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.27
Rot. Bonds5

About N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine

N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine (PubChem CID 102833204) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine
PubChem CID102833204
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C)c1ccsc1C
InChIInChI=1S/C11H20N2S/c1-5-12-11(8-13(3)4)10-6-7-14-9(10)2/h6-7,11-12H,5,8H2,1-4H3
InChIKeyHFNZMVNOOKXMIR-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine
CID 102840306
N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102840839
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315
N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102831917
1-(2,3-dimethylphenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092443
N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841988
2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832965
N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833759
2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102833842
N-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102831979
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832366
N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832629

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine (CID 102833204) is N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine is CCNC(CN(C)C)c1ccsc1C.
What is the InChIKey of N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine?
The InChIKey is HFNZMVNOOKXMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-12-11(8-13(3)4)10-6-7-14-9(10)2/h6-7,11-12H,5,8H2,1-4H3.
What are the key properties of N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine?
N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 102833204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).