4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide

C15H25IN4O — CID 111040962

IUPAC4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCN(C)C(=O)c1ccc(CN=C(N(C)C)N(C)C)cc1.I
InChIInChI=1S/C15H24N4O.HI/c1-17(2)14(20)13-9-7-12(8-10-13)11-16-15(18(3)4)19(5)6;/h7-10H,11H2,1-6H3;1H
InChIKeyAPSJIFVLALPOBO-UHFFFAOYSA-N
MW404.30 g/mol
LogP1.99
Rot. Bonds3

About 4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide

4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide (PubChem CID 111040962) has the molecular formula C15H25IN4O and a molecular weight of 404.30 g/mol. Its IUPAC name is 4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide.

Molecular Properties

Compound Name4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide
PubChem CID111040962
Molecular FormulaC15H25IN4O
Molecular Weight404.30 g/mol
Exact Mass404.11
IUPAC Name4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCN(C)C(=O)c1ccc(CN=C(N(C)C)N(C)C)cc1.I
InChIInChI=1S/C15H24N4O.HI/c1-17(2)14(20)13-9-7-12(8-10-13)11-16-15(18(3)4)19(5)6;/h7-10H,11H2,1-6H3;1H
InChIKeyAPSJIFVLALPOBO-UHFFFAOYSA-N
XLogP1.99
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
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

4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111041011
4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110914653
4-[[[ethylamino-[[2-(ethylamino)-2-oxoethyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111873406
4-[[[N'-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111875387
1,1,3,3-tetramethyl-2-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111064851
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040924
4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111040921
4-[[[ethylamino-(3-methylsulfonylpropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111873022
4-[[[[[2-(dimethylamino)-2-oxoethyl]amino]-(2-methylpropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111777858
4-[[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111870648
4-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111040919
3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide
CID 75493968

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The IUPAC name of 4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide (CID 111040962) is 4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide.
What is the SMILES notation for 4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The canonical SMILES for 4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide is CN(C)C(=O)c1ccc(CN=C(N(C)C)N(C)C)cc1.I.
What is the InChIKey of 4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The InChIKey is APSJIFVLALPOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.HI/c1-17(2)14(20)13-9-7-12(8-10-13)11-16-15(18(3)4)19(5)6;/h7-10H,11H2,1-6H3;1H.
What are the key properties of 4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide?
4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide has a molecular weight of 404.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide is sourced from PubChem (CID 111040962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).