3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide

C13H21IN4O — CID 75493968

IUPAC3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide
SMILESCN(C)C(=NCc1cccc(C(N)=O)c1)N(C)C.I
InChIInChI=1S/C13H20N4O.HI/c1-16(2)13(17(3)4)15-9-10-6-5-7-11(8-10)12(14)18;/h5-8H,9H2,1-4H3,(H2,14,18);1H
InChIKeyZSTSYPRZFZSHRN-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.38
Rot. Bonds3

About 3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide

3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide (PubChem CID 75493968) has the molecular formula C13H21IN4O and a molecular weight of 376.24 g/mol. Its IUPAC name is 3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide.

Molecular Properties

Compound Name3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide
PubChem CID75493968
Molecular FormulaC13H21IN4O
Molecular Weight376.24 g/mol
Exact Mass376.08
IUPAC Name3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide
SMILESCN(C)C(=NCc1cccc(C(N)=O)c1)N(C)C.I
InChIInChI=1S/C13H20N4O.HI/c1-16(2)13(17(3)4)15-9-10-6-5-7-11(8-10)12(14)18;/h5-8H,9H2,1-4H3,(H2,14,18);1H
InChIKeyZSTSYPRZFZSHRN-UHFFFAOYSA-N
XLogP1.38
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 51.38
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

benzyl 3-[[bis(dimethylamino)methylideneamino]methyl]benzoate;hydroiodide
CID 111099749
3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide
CID 111058827
1,1,3,3-tetramethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046282
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-[[bis(dimethylamino)methylideneamino]methyl]-N-[(2S)-butan-2-yl]benzamide
CID 95761523
3-[[[[benzyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110950673
3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111058475
3-[[[amino-(2-methylprop-2-enylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111058759
3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111819607
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
3-[[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111158189
3-(azidomethyl)benzamide
CID 61374948

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide?
The IUPAC name of 3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide (CID 75493968) is 3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide.
What is the SMILES notation for 3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide?
The canonical SMILES for 3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide is CN(C)C(=NCc1cccc(C(N)=O)c1)N(C)C.I.
What is the InChIKey of 3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide?
The InChIKey is ZSTSYPRZFZSHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.HI/c1-16(2)13(17(3)4)15-9-10-6-5-7-11(8-10)12(14)18;/h5-8H,9H2,1-4H3,(H2,14,18);1H.
What are the key properties of 3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide?
3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide has a molecular weight of 376.24 g/mol, XLogP of 1.38, 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]benzamide;hydroiodide is sourced from PubChem (CID 75493968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).