3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide

C16H27IN4O — CID 111819607

IUPAC3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCN(C)C(=O)c1cccc(CCN=C(N(C)C)N(C)C)c1.I
InChIInChI=1S/C16H26N4O.HI/c1-18(2)15(21)14-9-7-8-13(12-14)10-11-17-16(19(3)4)20(5)6;/h7-9,12H,10-11H2,1-6H3;1H
InChIKeyLXBMBVLMCZNOJD-UHFFFAOYSA-N
MW418.32 g/mol
LogP2.03
Rot. Bonds4

About 3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide

3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide (PubChem CID 111819607) has the molecular formula C16H27IN4O and a molecular weight of 418.32 g/mol. Its IUPAC name is 3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide.

Molecular Properties

Compound Name3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide
PubChem CID111819607
Molecular FormulaC16H27IN4O
Molecular Weight418.32 g/mol
Exact Mass418.12
IUPAC Name3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCN(C)C(=O)c1cccc(CCN=C(N(C)C)N(C)C)c1.I
InChIInChI=1S/C16H26N4O.HI/c1-18(2)15(21)14-9-7-8-13(12-14)10-11-17-16(19(3)4)20(5)6;/h7-9,12H,10-11H2,1-6H3;1H
InChIKeyLXBMBVLMCZNOJD-UHFFFAOYSA-N
XLogP2.03
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 52.03
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'}

Analyze 3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[[amino-(2,6-diethylanilino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111819537
3-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668685
3-[2-[[(2-benzamidoethylamino)-(ethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668061
3-[2-[[N-ethyl-N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669888
3-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111819585
3-[2-[[[2-(3,5-difluorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111669019
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide
CID 75493968
3-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111979444
3-[2-[[[2-(3,5-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide
CID 111670420
3-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111667855
3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111540238

Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide?
The IUPAC name of 3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide (CID 111819607) is 3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide.
What is the SMILES notation for 3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide?
The canonical SMILES for 3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide is CN(C)C(=O)c1cccc(CCN=C(N(C)C)N(C)C)c1.I.
What is the InChIKey of 3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide?
The InChIKey is LXBMBVLMCZNOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.HI/c1-18(2)15(21)14-9-7-8-13(12-14)10-11-17-16(19(3)4)20(5)6;/h7-9,12H,10-11H2,1-6H3;1H.
What are the key properties of 3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide?
3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide has a molecular weight of 418.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide is sourced from PubChem (CID 111819607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).