N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide

C16H25IN4O2 — CID 111752383

IUPACN-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCCNC(=O)C2CCC2)cc1.I
InChIInChI=1S/C16H24N4O2.HI/c1-22-14-8-6-13(7-9-14)20-16(17)19-11-3-10-18-15(21)12-4-2-5-12;/h6-9,12H,2-5,10-11H2,1H3,(H,18,21)(H3,17,19,20);1H
InChIKeyDUUPCDABRXWXPQ-UHFFFAOYSA-N
MW432.31 g/mol
LogP2.35
Rot. Bonds7

About N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide

N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide (PubChem CID 111752383) has the molecular formula C16H25IN4O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
PubChem CID111752383
Molecular FormulaC16H25IN4O2
Molecular Weight432.31 g/mol
Exact Mass432.10
IUPAC NameN-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCCNC(=O)C2CCC2)cc1.I
InChIInChI=1S/C16H24N4O2.HI/c1-22-14-8-6-13(7-9-14)20-16(17)19-11-3-10-18-15(21)12-4-2-5-12;/h6-9,12H,2-5,10-11H2,1H3,(H,18,21)(H3,17,19,20);1H
InChIKeyDUUPCDABRXWXPQ-UHFFFAOYSA-N
XLogP2.35
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752271
N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752283
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752348
2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine
CID 111062739
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111030481
2-[3-(ethylsulfonylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111093452
1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111054626
2-(3-anilinopropyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111088121
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111025337
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
1-(4-methoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111035965

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The IUPAC name of N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide (CID 111752383) is N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide.
What is the SMILES notation for N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The canonical SMILES for N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide is COc1ccc(N/C(N)=N/CCCNC(=O)C2CCC2)cc1.I.
What is the InChIKey of N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The InChIKey is DUUPCDABRXWXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.HI/c1-22-14-8-6-13(7-9-14)20-16(17)19-11-3-10-18-15(21)12-4-2-5-12;/h6-9,12H,2-5,10-11H2,1H3,(H,18,21)(H3,17,19,20);1H.
What are the key properties of N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide has a molecular weight of 432.31 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide is sourced from PubChem (CID 111752383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).