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

C12H22N4O — CID 90053318

IUPAC1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine
SMILESCN(C)CCOCCNc1ccc(N)cc1N
InChIInChI=1S/C12H22N4O/c1-16(2)6-8-17-7-5-15-12-4-3-10(13)9-11(12)14/h3-4,9,15H,5-8,13-14H2,1-2H3
InChIKeyABQSFPPSVZQHPP-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.84
Rot. Bonds7

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

1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine (PubChem CID 90053318) has the molecular formula C12H22N4O and a molecular weight of 238.34 g/mol. Its IUPAC name is 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine
PubChem CID90053318
Molecular FormulaC12H22N4O
Molecular Weight238.34 g/mol
Exact Mass238.18
IUPAC Name1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine
SMILESCN(C)CCOCCNc1ccc(N)cc1N
InChIInChI=1S/C12H22N4O/c1-16(2)6-8-17-7-5-15-12-4-3-10(13)9-11(12)14/h3-4,9,15H,5-8,13-14H2,1-2H3
InChIKeyABQSFPPSVZQHPP-UHFFFAOYSA-N
XLogP0.84
TPSA76.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.84
H-Bond Donors ≤ 53
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]-4-methoxybenzene-1,2-diamine
CID 114126972
1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine
CID 90053317
3-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dithione
CID 155599564
2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylbenzene-1,4-diamine
CID 114126977
1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
CID 66095990
1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine
CID 164917837
2-(2,4-diaminoanilino)ethyl-trimethylazanium
CID 90023471
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,4-dinitroaniline
CID 103952478
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylbenzonitrile
CID 114127687
2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile
CID 114127686
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxy-2-nitroaniline
CID 104705433
1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride
CID 155540052

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine?
The IUPAC name of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine (CID 90053318) is 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine.
What is the SMILES notation for 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine?
The canonical SMILES for 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine is CN(C)CCOCCNc1ccc(N)cc1N.
What is the InChIKey of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine?
The InChIKey is ABQSFPPSVZQHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-16(2)6-8-17-7-5-15-12-4-3-10(13)9-11(12)14/h3-4,9,15H,5-8,13-14H2,1-2H3.
What are the key properties of 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine?
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine has a molecular weight of 238.34 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine is sourced from PubChem (CID 90053318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).