N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine

C10H18N2OS — CID 61427465

IUPACN-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCOCCN(C)C(CN)c1ccsc1
InChIInChI=1S/C10H18N2OS/c1-12(4-5-13-2)10(7-11)9-3-6-14-8-9/h3,6,8,10H,4-5,7,11H2,1-2H3
InChIKeyCLCYMLKDYGCQLH-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.33
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine

N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 61427465) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
PubChem CID61427465
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCOCCN(C)C(CN)c1ccsc1
InChIInChI=1S/C10H18N2OS/c1-12(4-5-13-2)10(7-11)9-3-6-14-8-9/h3,6,8,10H,4-5,7,11H2,1-2H3
InChIKeyCLCYMLKDYGCQLH-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine (CID 61427465) is N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine is COCCN(C)C(CN)c1ccsc1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is CLCYMLKDYGCQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-12(4-5-13-2)10(7-11)9-3-6-14-8-9/h3,6,8,10H,4-5,7,11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 214.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 61427465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).