4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide

C15H24IN5O2 — CID 111048573

IUPAC4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1ccc(C(=O)NCC(N)=O)cc1.I
InChIInChI=1S/C15H23N5O2.HI/c1-3-20(4-2)15(17)19-9-11-5-7-12(8-6-11)14(22)18-10-13(16)21;/h5-8H,3-4,9-10H2,1-2H3,(H2,16,21)(H2,17,19)(H,18,22);1H
InChIKeyBZIOOIVZQHMXDQ-UHFFFAOYSA-N
MW433.29 g/mol
LogP0.68
Rot. Bonds7

About 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide

4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide (PubChem CID 111048573) has the molecular formula C15H24IN5O2 and a molecular weight of 433.29 g/mol. Its IUPAC name is 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide.

Molecular Properties

Compound Name4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide
PubChem CID111048573
Molecular FormulaC15H24IN5O2
Molecular Weight433.29 g/mol
Exact Mass433.10
IUPAC Name4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1ccc(C(=O)NCC(N)=O)cc1.I
InChIInChI=1S/C15H23N5O2.HI/c1-3-20(4-2)15(17)19-9-11-5-7-12(8-6-11)14(22)18-10-13(16)21;/h5-8H,3-4,9-10H2,1-2H3,(H2,16,21)(H2,17,19)(H,18,22);1H
InChIKeyBZIOOIVZQHMXDQ-UHFFFAOYSA-N
XLogP0.68
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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(diethylamino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070789
4-[[[amino-(hexylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide
CID 111048575
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
2-[(4-tert-butylphenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111045461
N-(2-amino-2-oxoethyl)-4-[[[[(4-chlorophenyl)methyl-methylamino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111293574
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111135458
2-[(4-chlorophenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111022759
N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 111048623
N-(2-amino-2-oxoethyl)-4-[[[(cyclopropylamino)-(ethylamino)methylidene]amino]methyl]benzamide
CID 110987686
N-(2-amino-2-oxoethyl)-4-[[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111892130
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111961904
N-(2-amino-2-oxoethyl)-4-[[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111182989

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide?
The IUPAC name of 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide (CID 111048573) is 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide.
What is the SMILES notation for 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide?
The canonical SMILES for 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide is CCN(CC)/C(N)=N/Cc1ccc(C(=O)NCC(N)=O)cc1.I.
What is the InChIKey of 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide?
The InChIKey is BZIOOIVZQHMXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2.HI/c1-3-20(4-2)15(17)19-9-11-5-7-12(8-6-11)14(22)18-10-13(16)21;/h5-8H,3-4,9-10H2,1-2H3,(H2,16,21)(H2,17,19)(H,18,22);1H.
What are the key properties of 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide?
4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide has a molecular weight of 433.29 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide is sourced from PubChem (CID 111048573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).