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

C14H26N2OS — CID 55226541

IUPACN'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCOCCN(CC)CCNCCc1cccs1
InChIInChI=1S/C14H26N2OS/c1-3-16(11-12-17-4-2)10-9-15-8-7-14-6-5-13-18-14/h5-6,13,15H,3-4,7-12H2,1-2H3
InChIKeyIJYXZKXCXQVWHO-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.24
Rot. Bonds11

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

N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 55226541) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID55226541
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCOCCN(CC)CCNCCc1cccs1
InChIInChI=1S/C14H26N2OS/c1-3-16(11-12-17-4-2)10-9-15-8-7-14-6-5-13-18-14/h5-6,13,15H,3-4,7-12H2,1-2H3
InChIKeyIJYXZKXCXQVWHO-UHFFFAOYSA-N
XLogP2.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.24
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',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 82943589
N-(2-ethoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556643
N-(3-ethoxypropyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557518
N-(4-ethoxybutyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55088870
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62555499
N-(2-butoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557344
N'-ethyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55089552
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63774752
N'-butyl-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62575943
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 55226541) is N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is CCOCCN(CC)CCNCCc1cccs1.
What is the InChIKey of N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is IJYXZKXCXQVWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-3-16(11-12-17-4-2)10-9-15-8-7-14-6-5-13-18-14/h5-6,13,15H,3-4,7-12H2,1-2H3.
What are the key properties of N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 270.44 g/mol, XLogP of 2.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 55226541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).