3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide

C19H24N4O — CID 111058875

IUPAC3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C/N=C(/NCc2ccccc2)N(C)C)c1
InChIInChI=1S/C19H24N4O/c1-20-18(24)17-11-7-10-16(12-17)14-22-19(23(2)3)21-13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyPPQDSSSIHABTGN-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.25
Rot. Bonds5

About 3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide

3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide (PubChem CID 111058875) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide
PubChem CID111058875
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C/N=C(/NCc2ccccc2)N(C)C)c1
InChIInChI=1S/C19H24N4O/c1-20-18(24)17-11-7-10-16(12-17)14-22-19(23(2)3)21-13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyPPQDSSSIHABTGN-UHFFFAOYSA-N
XLogP2.25
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111071197
4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]-N-methylbenzamide
CID 111048456
3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-propylbenzamide
CID 111058698
3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide
CID 111058827
3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 111082933
4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]benzamide
CID 111030268
3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111632276
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-methylbenzamide;hydroiodide
CID 110952739
3-benzyl-2-[[3-(methanesulfonamido)phenyl]methyl]-1,1-dimethylguanidine;hydroiodide
CID 119118038
N-[3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111061656
3-[[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]methyl]-N-methylbenzamide
CID 111288961
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663

Frequently Asked Questions

What is the IUPAC name of 3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide (CID 111058875) is 3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(C/N=C(/NCc2ccccc2)N(C)C)c1.
What is the InChIKey of 3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide?
The InChIKey is PPQDSSSIHABTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-20-18(24)17-11-7-10-16(12-17)14-22-19(23(2)3)21-13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide?
3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide has a molecular weight of 324.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111058875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).