triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium

C20H37N2O+ — CID 70799761

IUPACtriethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium
SMILESCCN(CCOCC[N+](CC)(CC)CC)c1ccc(C)c(C)c1
InChIInChI=1S/C20H37N2O/c1-7-21(20-12-11-18(5)19(6)17-20)13-15-23-16-14-22(8-2,9-3)10-4/h11-12,17H,7-10,13-16H2,1-6H3/q+1
InChIKeyIWVHBQHCMJKRII-UHFFFAOYSA-N
MW321.53 g/mol
LogP4.02
Rot. Bonds11

About triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium

triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium (PubChem CID 70799761) has the molecular formula C20H37N2O+ and a molecular weight of 321.53 g/mol. Its IUPAC name is triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium
PubChem CID70799761
Molecular FormulaC20H37N2O+
Molecular Weight321.53 g/mol
Exact Mass321.29
IUPAC Nametriethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium
SMILESCCN(CCOCC[N+](CC)(CC)CC)c1ccc(C)c(C)c1
InChIInChI=1S/C20H37N2O/c1-7-21(20-12-11-18(5)19(6)17-20)13-15-23-16-14-22(8-2,9-3)10-4/h11-12,17H,7-10,13-16H2,1-6H3/q+1
InChIKeyIWVHBQHCMJKRII-UHFFFAOYSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2,5-dimethyl-N-[2-[2-[2-(triethylazaniumyl)ethoxy]ethoxy]ethyl]anilino]ethoxy]ethyl-triethylazanium;methane
CID 158816775
diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium
CID 153492918
2-amino-5-isocyano-4-methylthiophene-3-carbonitrile;2-[2-[2-[2-[2-[4-[(3-cyano-5-isocyano-4-methylthiophen-2-yl)diazenyl]-N-ethyl-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-triethylazanium
CID 169426464
4-N-ethyl-1-N-iodo-4-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbenzene-1,4-diamine
CID 88729570
2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium
CID 148560037
2-[2-[4-[(5-cyano-3-isocyano-4-methylthiophen-2-yl)diazenyl]-3-methyl-N-[2-[2-[2-(triethylazaniumyl)ethoxy]ethoxy]ethyl]anilino]ethoxy]ethyl-triethylazanium
CID 87850328
N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide
CID 21292728
N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline
CID 21019332
4-N-ethyl-2-methyl-4-N-(2-trimethylsilyloxyethyl)benzene-1,4-diamine
CID 91723976
2-[2-[2-[2-[2-[4-[(5-cyano-3-isocyano-4-methylthiophen-2-yl)diazenyl]-N-ethyl-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-ethyl-dimethylazanium
CID 87849786
4-(chloromethyl)-N-ethyl-3-methyl-N-propylaniline
CID 62129296
4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde
CID 82951514

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium?
The IUPAC name of triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium (CID 70799761) is triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium.
What is the SMILES notation for triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium?
The canonical SMILES for triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium is CCN(CCOCC[N+](CC)(CC)CC)c1ccc(C)c(C)c1.
What is the InChIKey of triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium?
The InChIKey is IWVHBQHCMJKRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N2O/c1-7-21(20-12-11-18(5)19(6)17-20)13-15-23-16-14-22(8-2,9-3)10-4/h11-12,17H,7-10,13-16H2,1-6H3/q+1.
What are the key properties of triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium?
triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium has a molecular weight of 321.53 g/mol, XLogP of 4.02, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium is sourced from PubChem (CID 70799761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).