N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine

C9H16N2OS — CID 115287823

IUPACN'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCOCCNCC(N)c1cccs1
InChIInChI=1S/C9H16N2OS/c1-12-5-4-11-7-8(10)9-3-2-6-13-9/h2-3,6,8,11H,4-5,7,10H2,1H3
InChIKeyVHDPFYAWZUSVGI-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.98
Rot. Bonds6

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

N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 115287823) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID115287823
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCOCCNCC(N)c1cccs1
InChIInChI=1S/C9H16N2OS/c1-12-5-4-11-7-8(10)9-3-2-6-13-9/h2-3,6,8,11H,4-5,7,10H2,1H3
InChIKeyVHDPFYAWZUSVGI-UHFFFAOYSA-N
XLogP0.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-thiophen-2-ylethanamine
CID 58736274
N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine
CID 102913382
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292
1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55021667
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide
CID 113405123
2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104
N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287820
2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine
CID 79433328

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine (CID 115287823) is N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine is COCCNCC(N)c1cccs1.
What is the InChIKey of N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is VHDPFYAWZUSVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-12-5-4-11-7-8(10)9-3-2-6-13-9/h2-3,6,8,11H,4-5,7,10H2,1H3.
What are the key properties of N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine?
N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 200.31 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 115287823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).