N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine

C16H30N2O2S — CID 82943480

IUPACN',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCCOCCN(CCNCc1sccc1C)CCOCC
InChIInChI=1S/C16H30N2O2S/c1-4-19-11-9-18(10-12-20-5-2)8-7-17-14-16-15(3)6-13-21-16/h6,13,17H,4-5,7-12,14H2,1-3H3
InChIKeyHRERGRUIJDCFQV-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.52
Rot. Bonds13

About N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine

N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 82943480) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
PubChem CID82943480
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC NameN',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCCOCCN(CCNCc1sccc1C)CCOCC
InChIInChI=1S/C16H30N2O2S/c1-4-19-11-9-18(10-12-20-5-2)8-7-17-14-16-15(3)6-13-21-16/h6,13,17H,4-5,7-12,14H2,1-3H3
InChIKeyHRERGRUIJDCFQV-UHFFFAOYSA-N
XLogP2.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.52
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'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62553697
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62597124
N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
CID 62561180
N-[(3-methylthiophen-2-yl)methyl]-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 55089742
N'-methyl-N-[(3-methylthiophen-2-yl)methyl]-N'-pentylethane-1,2-diamine
CID 62561880
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 82943589
N'-methyl-N'-(3-methylbutan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62561387
N'-methyl-N'-(3-methylbutyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62556353
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106513305
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine (CID 82943480) is N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine is CCOCCN(CCNCc1sccc1C)CCOCC.
What is the InChIKey of N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is HRERGRUIJDCFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-4-19-11-9-18(10-12-20-5-2)8-7-17-14-16-15(3)6-13-21-16/h6,13,17H,4-5,7-12,14H2,1-3H3.
What are the key properties of N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
N',N'-bis(2-ethoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 314.50 g/mol, XLogP of 2.52, 13 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-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 82943480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).