N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine

C13H19N3OS — CID 62586554

IUPACN-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
SMILESCOCCNCCN(C)c1nccc2sccc12
InChIInChI=1S/C13H19N3OS/c1-16(8-6-14-7-9-17-2)13-11-4-10-18-12(11)3-5-15-13/h3-5,10,14H,6-9H2,1-2H3
InChIKeyZXNGFDSUZBVAGP-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.97
Rot. Bonds7

About N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine

N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine (PubChem CID 62586554) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
PubChem CID62586554
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
SMILESCOCCNCCN(C)c1nccc2sccc12
InChIInChI=1S/C13H19N3OS/c1-16(8-6-14-7-9-17-2)13-11-4-10-18-12(11)3-5-15-13/h3-5,10,14H,6-9H2,1-2H3
InChIKeyZXNGFDSUZBVAGP-UHFFFAOYSA-N
XLogP1.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 83029559
4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid
CID 43522697
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 62959481
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62769885
N-(2-methoxyethyl)-N'-methyl-N'-pyridin-2-ylethane-1,2-diamine
CID 62588167
N-[[4-(aminomethyl)phenyl]methyl]-N-methylthieno[3,2-c]pyridin-4-amine
CID 60923008
N'-(5-iodopyrimidin-4-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 66320006
N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639113
5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 112557132
N-(2-methoxyethyl)-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62585477
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62574597
N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 63872311

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine (CID 62586554) is N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine is COCCNCCN(C)c1nccc2sccc12.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
The InChIKey is ZXNGFDSUZBVAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16(8-6-14-7-9-17-2)13-11-4-10-18-12(11)3-5-15-13/h3-5,10,14H,6-9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine has a molecular weight of 265.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62586554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).