2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile

C13H19N3O — CID 114127686

IUPAC2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile
SMILESCN(C)CCOCCNc1ccccc1C#N
InChIInChI=1S/C13H19N3O/c1-16(2)8-10-17-9-7-15-13-6-4-3-5-12(13)11-14/h3-6,15H,7-10H2,1-2H3
InChIKeyYQCVCXWZWIRZOU-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.55
Rot. Bonds7

About 2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile

2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile (PubChem CID 114127686) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile
PubChem CID114127686
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile
SMILESCN(C)CCOCCNc1ccccc1C#N
InChIInChI=1S/C13H19N3O/c1-16(2)8-10-17-9-7-15-13-6-4-3-5-12(13)11-14/h3-6,15H,7-10H2,1-2H3
InChIKeyYQCVCXWZWIRZOU-UHFFFAOYSA-N
XLogP1.55
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylbenzonitrile
CID 114127687
2-(3-aminobutylamino)benzonitrile
CID 63251194
2-(dodecylamino)benzonitrile
CID 63488308
2-(3-aminopropylamino)benzonitrile
CID 62269856
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile
CID 104705443
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,4-dinitroaniline
CID 103952478
2-(3-hydroxybutylamino)benzonitrile
CID 64910857
2-[3-(diethylamino)butylamino]benzonitrile
CID 23324090
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine
CID 90053318
tert-butyl N-tert-butyl-N-[2-(2-cyanoanilino)ethyl]carbamate
CID 107444554
2-[2-(3-bromophenoxy)ethylamino]benzonitrile
CID 60731326
N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943957

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile?
The IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile (CID 114127686) is 2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile is CN(C)CCOCCNc1ccccc1C#N.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile?
The InChIKey is YQCVCXWZWIRZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(2)8-10-17-9-7-15-13-6-4-3-5-12(13)11-14/h3-6,15H,7-10H2,1-2H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile?
2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile has a molecular weight of 233.32 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile is sourced from PubChem (CID 114127686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).