2-(2,4-diaminoanilino)ethyl-trimethylazanium

C11H21N4+ — CID 90023471

IUPAC2-(2,4-diaminoanilino)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNc1ccc(N)cc1N
InChIInChI=1S/C11H21N4/c1-15(2,3)7-6-14-11-5-4-9(12)8-10(11)13/h4-5,8,14H,6-7,12-13H2,1-3H3/q+1
InChIKeyZWRHFVSSUAKDSV-UHFFFAOYSA-N
MW209.32 g/mol
LogP0.97
Rot. Bonds4

About 2-(2,4-diaminoanilino)ethyl-trimethylazanium

2-(2,4-diaminoanilino)ethyl-trimethylazanium (PubChem CID 90023471) has the molecular formula C11H21N4+ and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-(2,4-diaminoanilino)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(2,4-diaminoanilino)ethyl-trimethylazanium
PubChem CID90023471
Molecular FormulaC11H21N4+
Molecular Weight209.32 g/mol
Exact Mass209.18
IUPAC Name2-(2,4-diaminoanilino)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNc1ccc(N)cc1N
InChIInChI=1S/C11H21N4/c1-15(2,3)7-6-14-11-5-4-9(12)8-10(11)13/h4-5,8,14H,6-7,12-13H2,1-3H3/q+1
InChIKeyZWRHFVSSUAKDSV-UHFFFAOYSA-N
XLogP0.97
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-diaminoanilino)ethyl-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine
CID 164917837
2-(4-aminoanilino)ethyl-trimethylazanium;iodide;hydrochloride
CID 22155037
1-N-[3-(2,4-diaminoanilino)propyl]benzene-1,2,4-triamine;sulfuric acid
CID 19357418
6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092
1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine
CID 90053317
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine
CID 90053318
bis[3-(4-amino-2-methylanilino)propyl]-ethyl-methylazanium
CID 89397376
1-N-[(2,5-diaminophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 23440273
1-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzene-1,2,4-triamine
CID 90022369
2-chloro-1-N-propylbenzene-1,4-diamine
CID 28902196
3-amino-4-(propylamino)phenol
CID 166450854
2-N-(2-aminoethyl)benzene-1,2,4-triamine
CID 57040010

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diaminoanilino)ethyl-trimethylazanium?
The IUPAC name of 2-(2,4-diaminoanilino)ethyl-trimethylazanium (CID 90023471) is 2-(2,4-diaminoanilino)ethyl-trimethylazanium.
What is the SMILES notation for 2-(2,4-diaminoanilino)ethyl-trimethylazanium?
The canonical SMILES for 2-(2,4-diaminoanilino)ethyl-trimethylazanium is C[N+](C)(C)CCNc1ccc(N)cc1N.
What is the InChIKey of 2-(2,4-diaminoanilino)ethyl-trimethylazanium?
The InChIKey is ZWRHFVSSUAKDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N4/c1-15(2,3)7-6-14-11-5-4-9(12)8-10(11)13/h4-5,8,14H,6-7,12-13H2,1-3H3/q+1.
What are the key properties of 2-(2,4-diaminoanilino)ethyl-trimethylazanium?
2-(2,4-diaminoanilino)ethyl-trimethylazanium has a molecular weight of 209.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diaminoanilino)ethyl-trimethylazanium is sourced from PubChem (CID 90023471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).