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

C16H30N2O2S — CID 82943589

IUPACN',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCOCCN(CCNCCc1cccs1)CCOCC
InChIInChI=1S/C16H30N2O2S/c1-3-19-13-11-18(12-14-20-4-2)10-9-17-8-7-16-6-5-15-21-16/h5-6,15,17H,3-4,7-14H2,1-2H3
InChIKeyGECTUMFVDSSGEY-UHFFFAOYSA-N
MW314.49 g/mol
LogP2.26
Rot. Bonds14

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

N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 82943589) has the molecular formula C16H30N2O2S and a molecular weight of 314.49 g/mol. Its IUPAC name is N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID82943589
Molecular FormulaC16H30N2O2S
Molecular Weight314.49 g/mol
Exact Mass314.20
IUPAC NameN',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCOCCN(CCNCCc1cccs1)CCOCC
InChIInChI=1S/C16H30N2O2S/c1-3-19-13-11-18(12-14-20-4-2)10-9-17-8-7-16-6-5-15-21-16/h5-6,15,17H,3-4,7-14H2,1-2H3
InChIKeyGECTUMFVDSSGEY-UHFFFAOYSA-N
XLogP2.26
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55226541
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-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
N'-butyl-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62575943
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-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 82943480

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 82943589) is N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is CCOCCN(CCNCCc1cccs1)CCOCC.
What is the InChIKey of N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is GECTUMFVDSSGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-3-19-13-11-18(12-14-20-4-2)10-9-17-8-7-16-6-5-15-21-16/h5-6,15,17H,3-4,7-14H2,1-2H3.
What are the key properties of N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 314.49 g/mol, XLogP of 2.26, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 82943589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).