N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine

C25H39N3 — CID 18441585

IUPACN-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine
SMILESCCc1cccc(CC)c1NCCCNCCNc1c(CC)cccc1CC
InChIInChI=1S/C25H39N3/c1-5-20-12-9-13-21(6-2)24(20)27-17-11-16-26-18-19-28-25-22(7-3)14-10-15-23(25)8-4/h9-10,12-15,26-28H,5-8,11,16-19H2,1-4H3
InChIKeyUONAULGCPILXAU-UHFFFAOYSA-N
MW381.61 g/mol
LogP5.44
Rot. Bonds13

About N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine

N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine (PubChem CID 18441585) has the molecular formula C25H39N3 and a molecular weight of 381.61 g/mol. Its IUPAC name is N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine
PubChem CID18441585
Molecular FormulaC25H39N3
Molecular Weight381.61 g/mol
Exact Mass381.31
IUPAC NameN-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine
SMILESCCc1cccc(CC)c1NCCCNCCNc1c(CC)cccc1CC
InChIInChI=1S/C25H39N3/c1-5-20-12-9-13-21(6-2)24(20)27-17-11-16-26-18-19-28-25-22(7-3)14-10-15-23(25)8-4/h9-10,12-15,26-28H,5-8,11,16-19H2,1-4H3
InChIKeyUONAULGCPILXAU-UHFFFAOYSA-N
XLogP5.44
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.61
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine
CID 54807025
2,6-diethyl-N-octylaniline
CID 63491055
4-(2,6-diethylanilino)butan-1-ol
CID 62327687
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54809654
2,6-diethyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409479
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;iron(2+);dichloride
CID 18441093
cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride
CID 18441572
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;nickel(2+);dichloride
CID 18441097
2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
CID 39356754
2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104562158
N'-chloro-N'-[(2,6-diethylanilino)methyl]-N-(2,6-diethylphenyl)ethane-1,2-diamine
CID 87161674
N'-(2-ethyl-6-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809826

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine?
The IUPAC name of N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine (CID 18441585) is N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine.
What is the SMILES notation for N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine?
The canonical SMILES for N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine is CCc1cccc(CC)c1NCCCNCCNc1c(CC)cccc1CC.
What is the InChIKey of N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine?
The InChIKey is UONAULGCPILXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3/c1-5-20-12-9-13-21(6-2)24(20)27-17-11-16-26-18-19-28-25-22(7-3)14-10-15-23(25)8-4/h9-10,12-15,26-28H,5-8,11,16-19H2,1-4H3.
What are the key properties of N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine?
N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine has a molecular weight of 381.61 g/mol, XLogP of 5.44, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 18441585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).