N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine

C14H26N2OS — CID 62556118

IUPACN-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCOCCCNCCN(C)C(C)c1cccs1
InChIInChI=1S/C14H26N2OS/c1-4-17-11-6-8-15-9-10-16(3)13(2)14-7-5-12-18-14/h5,7,12-13,15H,4,6,8-11H2,1-3H3
InChIKeyHLGDEYZWTALFFY-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.76
Rot. Bonds10

About N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine

N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 62556118) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID62556118
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCOCCCNCCN(C)C(C)c1cccs1
InChIInChI=1S/C14H26N2OS/c1-4-17-11-6-8-15-9-10-16(3)13(2)14-7-5-12-18-14/h5,7,12-13,15H,4,6,8-11H2,1-3H3
InChIKeyHLGDEYZWTALFFY-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.76
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-(3-ethoxypropyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557518
N-(3-ethoxypropyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112666209
N-(4-ethoxybutyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55088870
N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
CID 63666886
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
CID 62431531
N-(3-ethoxypropyl)-2-(thiophen-2-ylmethoxy)propan-1-amine
CID 62584051
N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62561753
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089246
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089294
1-N-methyl-1-N-(1-thiophen-2-ylethyl)hexane-1,5-diamine
CID 82853429

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 62556118) is N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine is CCOCCCNCCN(C)C(C)c1cccs1.
What is the InChIKey of N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is HLGDEYZWTALFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-17-11-6-8-15-9-10-16(3)13(2)14-7-5-12-18-14/h5,7,12-13,15H,4,6,8-11H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 270.44 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62556118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).