3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile

C19H23N3 — CID 20628499

IUPAC3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile
SMILESCN(C)CCN(Cc1ccccc1)Cc1cccc(C#N)c1
InChIInChI=1S/C19H23N3/c1-21(2)11-12-22(15-17-7-4-3-5-8-17)16-19-10-6-9-18(13-19)14-20/h3-10,13H,11-12,15-16H2,1-2H3
InChIKeyFTIQBRDJPFUXFS-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.12
Rot. Bonds7

About 3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile

3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile (PubChem CID 20628499) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile
PubChem CID20628499
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile
SMILESCN(C)CCN(Cc1ccccc1)Cc1cccc(C#N)c1
InChIInChI=1S/C19H23N3/c1-21(2)11-12-22(15-17-7-4-3-5-8-17)16-19-10-6-9-18(13-19)14-20/h3-10,13H,11-12,15-16H2,1-2H3
InChIKeyFTIQBRDJPFUXFS-UHFFFAOYSA-N
XLogP3.12
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(dimethylamino)ethyl-ethylamino]methyl]benzonitrile
CID 170695975
3-[(dibenzylamino)methyl]benzonitrile
CID 39161516
2-[(3-cyanophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425157
3-[[2-aminoethyl(benzyl)amino]methyl]benzonitrile
CID 106511326
N,N-dibenzylpropan-1-amine;3-methylbenzonitrile
CID 143178266
3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 5253461
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]but-2-ynamide
CID 146083512
3-[[methyl(2-phenoxyethyl)amino]methyl]benzonitrile
CID 60641547
2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane
CID 143170148
2-[(3-cyanophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 54978960
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile?
The IUPAC name of 3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile (CID 20628499) is 3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile?
The canonical SMILES for 3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile is CN(C)CCN(Cc1ccccc1)Cc1cccc(C#N)c1.
What is the InChIKey of 3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile?
The InChIKey is FTIQBRDJPFUXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-21(2)11-12-22(15-17-7-4-3-5-8-17)16-19-10-6-9-18(13-19)14-20/h3-10,13H,11-12,15-16H2,1-2H3.
What are the key properties of 3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile?
3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile has a molecular weight of 293.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile is sourced from PubChem (CID 20628499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).