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

C16H25IN4O2 — CID 111752271

IUPACN-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCCNC(=O)C2CCC2)c1.I
InChIInChI=1S/C16H24N4O2.HI/c1-22-14-8-3-7-13(11-14)20-16(17)19-10-4-9-18-15(21)12-5-2-6-12;/h3,7-8,11-12H,2,4-6,9-10H2,1H3,(H,18,21)(H3,17,19,20);1H
InChIKeyVMQHDUPFMNUBCD-UHFFFAOYSA-N
MW432.31 g/mol
LogP2.35
Rot. Bonds7

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

N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide (PubChem CID 111752271) has the molecular formula C16H25IN4O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
PubChem CID111752271
Molecular FormulaC16H25IN4O2
Molecular Weight432.31 g/mol
Exact Mass432.10
IUPAC NameN-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCCNC(=O)C2CCC2)c1.I
InChIInChI=1S/C16H24N4O2.HI/c1-22-14-8-3-7-13(11-14)20-16(17)19-10-4-9-18-15(21)12-5-2-6-12;/h3,7-8,11-12H,2,4-6,9-10H2,1H3,(H,18,21)(H3,17,19,20);1H
InChIKeyVMQHDUPFMNUBCD-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-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111030481
N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752383
N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752283
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034741
N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]-3-bromobenzamide;hydroiodide
CID 111094126
N-[3-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 109460119
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752348
1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine
CID 111808524
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
2-(4,4-dimethylpentyl)-1-(3-methoxyphenyl)guanidine
CID 111818232
1-(3-methoxyphenyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111023053

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The IUPAC name of N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide (CID 111752271) is N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide.
What is the SMILES notation for N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The canonical SMILES for N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide is COc1cccc(N/C(N)=N/CCCNC(=O)C2CCC2)c1.I.
What is the InChIKey of N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The InChIKey is VMQHDUPFMNUBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.HI/c1-22-14-8-3-7-13(11-14)20-16(17)19-10-4-9-18-15(21)12-5-2-6-12;/h3,7-8,11-12H,2,4-6,9-10H2,1H3,(H,18,21)(H3,17,19,20);1H.
What are the key properties of N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
N-[3-[[amino-(3-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-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide is sourced from PubChem (CID 111752271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).