2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

C11H17NO2S — CID 103546964

IUPAC2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCNC(CC1OCCO1)c1sccc1C
InChIInChI=1S/C11H17NO2S/c1-8-3-6-15-11(8)9(12-2)7-10-13-4-5-14-10/h3,6,9-10,12H,4-5,7H2,1-2H3
InChIKeyYOTSUGNVJTZGSZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.08
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 103546964) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID103546964
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCNC(CC1OCCO1)c1sccc1C
InChIInChI=1S/C11H17NO2S/c1-8-3-6-15-11(8)9(12-2)7-10-13-4-5-14-10/h3,6,9-10,12H,4-5,7H2,1-2H3
InChIKeyYOTSUGNVJTZGSZ-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116951777
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115842662
N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine
CID 105037504
2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988789
2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115841218
(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
CID 130738998
[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310138
[2-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833757

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (CID 103546964) is 2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is CNC(CC1OCCO1)c1sccc1C.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is YOTSUGNVJTZGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8-3-6-15-11(8)9(12-2)7-10-13-4-5-14-10/h3,6,9-10,12H,4-5,7H2,1-2H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 227.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 103546964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).