2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium

C24H45N2O4+ — CID 148560037

IUPAC2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CCOCCOCCOCCOCCN(CC)c1cccc(C)c1
InChIInChI=1S/C24H45N2O4/c1-6-12-26(4,5)13-15-28-17-19-30-21-20-29-18-16-27-14-11-25(7-2)24-10-8-9-23(3)22-24/h8-10,22H,6-7,11-21H2,1-5H3/q+1
InChIKeyPQSCDNBYEHCXJF-UHFFFAOYSA-N
MW425.63 g/mol
LogP3.37
Rot. Bonds19

About 2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium

2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium (PubChem CID 148560037) has the molecular formula C24H45N2O4+ and a molecular weight of 425.63 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium
PubChem CID148560037
Molecular FormulaC24H45N2O4+
Molecular Weight425.63 g/mol
Exact Mass425.34
IUPAC Name2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CCOCCOCCOCCOCCN(CC)c1cccc(C)c1
InChIInChI=1S/C24H45N2O4/c1-6-12-26(4,5)13-15-28-17-19-30-21-20-29-18-16-27-14-11-25(7-2)24-10-8-9-23(3)22-24/h8-10,22H,6-7,11-21H2,1-5H3/q+1
InChIKeyPQSCDNBYEHCXJF-UHFFFAOYSA-N
XLogP3.37
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.63
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium
CID 153492918
N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
CID 124925556
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
CID 54440196
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-ethyl-3-methylaniline
CID 91719512
N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54163306
N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline
CID 131710840
trimethyl-[2-[2-[2-(3-methyl-N-[3-propan-2-yloxy-2-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethoxy]propyl]anilino)ethoxy]ethoxy]ethyl]azanium
CID 140731477
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline
CID 139697285
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium?
The IUPAC name of 2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium (CID 148560037) is 2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium.
What is the SMILES notation for 2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium?
The canonical SMILES for 2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium is CCC[N+](C)(C)CCOCCOCCOCCOCCN(CC)c1cccc(C)c1.
What is the InChIKey of 2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium?
The InChIKey is PQSCDNBYEHCXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N2O4/c1-6-12-26(4,5)13-15-28-17-19-30-21-20-29-18-16-27-14-11-25(7-2)24-10-8-9-23(3)22-24/h8-10,22H,6-7,11-21H2,1-5H3/q+1.
What are the key properties of 2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium?
2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium has a molecular weight of 425.63 g/mol, XLogP of 3.37, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium is sourced from PubChem (CID 148560037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).