3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide

C14H22N4O — CID 111058827

IUPAC3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CN=C(N(C)C)N(C)C)c1
InChIInChI=1S/C14H22N4O/c1-15-13(19)12-8-6-7-11(9-12)10-16-14(17(2)3)18(4)5/h6-9H,10H2,1-5H3,(H,15,19)
InChIKeySATQUXOUMFLZOC-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.03
Rot. Bonds3

About 3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide

3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide (PubChem CID 111058827) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide
PubChem CID111058827
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CN=C(N(C)C)N(C)C)c1
InChIInChI=1S/C14H22N4O/c1-15-13(19)12-8-6-7-11(9-12)10-16-14(17(2)3)18(4)5/h6-9H,10H2,1-5H3,(H,15,19)
InChIKeySATQUXOUMFLZOC-UHFFFAOYSA-N
XLogP1.03
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
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-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide
CID 75493968
3-[[bis(dimethylamino)methylideneamino]methyl]-N-[(2S)-butan-2-yl]benzamide
CID 95761523
3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058875
3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111058475
3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058799
3-(isothiocyanatomethyl)-N-methylbenzamide
CID 16664203
benzyl 3-[[bis(dimethylamino)methylideneamino]methyl]benzoate;hydroiodide
CID 111099749
3-ethyl-N-methylbenzamide
CID 59115297
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
1,1,3,3-tetramethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046282
3-[[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]methyl]-N-methylbenzamide
CID 111288961
3-[[[amino-(prop-2-enylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 110918655

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide (CID 111058827) is 3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CN=C(N(C)C)N(C)C)c1.
What is the InChIKey of 3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide?
The InChIKey is SATQUXOUMFLZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-15-13(19)12-8-6-7-11(9-12)10-16-14(17(2)3)18(4)5/h6-9H,10H2,1-5H3,(H,15,19).
What are the key properties of 3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide?
3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide has a molecular weight of 262.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111058827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).