1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine

C20H28N2O2 — CID 20556501

IUPAC1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine
SMILESCCOCCOCC(NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H28N2O2/c1-2-23-13-14-24-17-20(21-15-18-9-5-3-6-10-18)22-16-19-11-7-4-8-12-19/h3-12,20-22H,2,13-17H2,1H3
InChIKeyDJYJJISYRXIOFG-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.95
Rot. Bonds12

About 1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine

1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine (PubChem CID 20556501) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine
PubChem CID20556501
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine
SMILESCCOCCOCC(NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H28N2O2/c1-2-23-13-14-24-17-20(21-15-18-9-5-3-6-10-18)22-16-19-11-7-4-8-12-19/h3-12,20-22H,2,13-17H2,1H3
InChIKeyDJYJJISYRXIOFG-UHFFFAOYSA-N
XLogP2.95
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 162513752
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
1-N'-benzyl-1-N-ethyloctane-1,1-diamine
CID 170086019
[1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane
CID 88682846
N-(2-ethoxyethyl)-1,2-diphenylethanamine
CID 43403746
N-benzyl-1-diethoxyphosphorylpropan-1-amine
CID 71361859
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
N-(benzylsulfamoyl)-2-ethoxyethanamine
CID 154495272

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine (CID 20556501) is 1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine is CCOCCOCC(NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of 1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine?
The InChIKey is DJYJJISYRXIOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-23-13-14-24-17-20(21-15-18-9-5-3-6-10-18)22-16-19-11-7-4-8-12-19/h3-12,20-22H,2,13-17H2,1H3.
What are the key properties of 1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine?
1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine has a molecular weight of 328.46 g/mol, XLogP of 2.95, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dibenzyl-2-(2-ethoxyethoxy)ethane-1,1-diamine is sourced from PubChem (CID 20556501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).