3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile

C19H23N3 — CID 43824534

IUPAC3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile
SMILESCN(CCCNCc1cccc(C#N)c1)Cc1ccccc1
InChIInChI=1S/C19H23N3/c1-22(16-17-7-3-2-4-8-17)12-6-11-21-15-19-10-5-9-18(13-19)14-20/h2-5,7-10,13,21H,6,11-12,15-16H2,1H3
InChIKeySHNVSZJPJZPNNL-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.17
Rot. Bonds8

About 3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile

3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile (PubChem CID 43824534) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile
PubChem CID43824534
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile
SMILESCN(CCCNCc1cccc(C#N)c1)Cc1ccccc1
InChIInChI=1S/C19H23N3/c1-22(16-17-7-3-2-4-8-17)12-6-11-21-15-19-10-5-9-18(13-19)14-20/h2-5,7-10,13,21H,6,11-12,15-16H2,1H3
InChIKeySHNVSZJPJZPNNL-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(dimethylamino)ethylamino]methyl]benzonitrile;dihydrochloride
CID 47002374
3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]benzonitrile
CID 60732885
3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 5253461
3-[[methyl(pentyl)amino]methyl]benzonitrile
CID 43294880
3-[(2-aminoethylamino)methyl]benzonitrile
CID 60887559
3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzonitrile
CID 62843600
3-[(4,4-dimethylpentylamino)methyl]benzonitrile
CID 113240115
3-[(3-methoxypropylamino)methyl]benzonitrile
CID 28673378
3-[[methyl-[3-(2-phenylethoxy)propyl]amino]methyl]benzonitrile
CID 87013174
N-[3-[benzyl(methyl)amino]propyl]-5-cyano-2-methylbenzenesulfonamide
CID 113236088
3-[[methyl(2-phenoxyethyl)amino]methyl]benzonitrile
CID 60641547
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile?
The IUPAC name of 3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile (CID 43824534) is 3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile is CN(CCCNCc1cccc(C#N)c1)Cc1ccccc1.
What is the InChIKey of 3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile?
The InChIKey is SHNVSZJPJZPNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-22(16-17-7-3-2-4-8-17)12-6-11-21-15-19-10-5-9-18(13-19)14-20/h2-5,7-10,13,21H,6,11-12,15-16H2,1H3.
What are the key properties of 3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile?
3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile has a molecular weight of 293.41 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[benzyl(methyl)amino]propylamino]methyl]benzonitrile is sourced from PubChem (CID 43824534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).