N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine

C13H24N2OS — CID 62554315

IUPACN'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
SMILESCCN(CCNCCc1ccsc1)CCOC
InChIInChI=1S/C13H24N2OS/c1-3-15(9-10-16-2)8-7-14-6-4-13-5-11-17-12-13/h5,11-12,14H,3-4,6-10H2,1-2H3
InChIKeyIPFRABNAOMDXHO-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.85
Rot. Bonds10

About N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine

N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine (PubChem CID 62554315) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
PubChem CID62554315
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
SMILESCCN(CCNCCc1ccsc1)CCOC
InChIInChI=1S/C13H24N2OS/c1-3-15(9-10-16-2)8-7-14-6-4-13-5-11-17-12-13/h5,11-12,14H,3-4,6-10H2,1-2H3
InChIKeyIPFRABNAOMDXHO-UHFFFAOYSA-N
XLogP1.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclopropylmethyl)-N'-ethyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 63940286
N'-ethyl-N'-(pyridin-4-ylmethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62555381
N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62560168
N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62575390
methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate
CID 78959784
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide
CID 113411312
N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide
CID 113409977
3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
CID 82939993
N,N'-diethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 18965073
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62554317

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine (CID 62554315) is N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine is CCN(CCNCCc1ccsc1)CCOC.
What is the InChIKey of N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The InChIKey is IPFRABNAOMDXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-15(9-10-16-2)8-7-14-6-4-13-5-11-17-12-13/h5,11-12,14H,3-4,6-10H2,1-2H3.
What are the key properties of N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine has a molecular weight of 256.41 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).