1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine

C12H23N5 — CID 90053317

IUPAC1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine
SMILESCN(C)CCNCCNc1ccc(N)cc1N
InChIInChI=1S/C12H23N5/c1-17(2)8-7-15-5-6-16-12-4-3-10(13)9-11(12)14/h3-4,9,15-16H,5-8,13-14H2,1-2H3
InChIKeyIZWHTFYRMKUHRV-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.41
Rot. Bonds7

About 1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine

1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine (PubChem CID 90053317) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine
PubChem CID90053317
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine
SMILESCN(C)CCNCCNc1ccc(N)cc1N
InChIInChI=1S/C12H23N5/c1-17(2)8-7-15-5-6-16-12-4-3-10(13)9-11(12)14/h3-4,9,15-16H,5-8,13-14H2,1-2H3
InChIKeyIZWHTFYRMKUHRV-UHFFFAOYSA-N
XLogP0.41
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine
CID 90053318
1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
CID 66095990
2-(2,4-diaminoanilino)ethyl-trimethylazanium
CID 90023471
1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine
CID 164917837
4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol
CID 153328752
1-N-[3-(dimethylamino)propyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935518
6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092
1-N-[3-(2,4-diaminoanilino)propyl]benzene-1,2,4-triamine;sulfuric acid
CID 19357418
2-N-[2-[2-[2-(2,5-diamino-N-hexylanilino)ethylamino]ethylamino]ethyl]benzene-1,2,4-triamine
CID 10160597
4-amino-3-[2-(dimethylamino)ethylamino]phenol
CID 118147492
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxybenzene-1,2-diamine
CID 114126972
3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine?
The IUPAC name of 1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine (CID 90053317) is 1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine.
What is the SMILES notation for 1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine?
The canonical SMILES for 1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine is CN(C)CCNCCNc1ccc(N)cc1N.
What is the InChIKey of 1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine?
The InChIKey is IZWHTFYRMKUHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-17(2)8-7-15-5-6-16-12-4-3-10(13)9-11(12)14/h3-4,9,15-16H,5-8,13-14H2,1-2H3.
What are the key properties of 1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine?
1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine has a molecular weight of 237.35 g/mol, XLogP of 0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine is sourced from PubChem (CID 90053317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).