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

C15H23IN4O — CID 111752283

IUPACN-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
SMILESI.N/C(=N\CCCNC(=O)C1CCC1)Nc1ccccc1
InChIInChI=1S/C15H22N4O.HI/c16-15(19-13-8-2-1-3-9-13)18-11-5-10-17-14(20)12-6-4-7-12;/h1-3,8-9,12H,4-7,10-11H2,(H,17,20)(H3,16,18,19);1H
InChIKeyMLVJMQYQZYRBDB-UHFFFAOYSA-N
MW402.28 g/mol
LogP2.34
Rot. Bonds6

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

N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide (PubChem CID 111752283) has the molecular formula C15H23IN4O and a molecular weight of 402.28 g/mol. Its IUPAC name is N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
PubChem CID111752283
Molecular FormulaC15H23IN4O
Molecular Weight402.28 g/mol
Exact Mass402.09
IUPAC NameN-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
SMILESI.N/C(=N\CCCNC(=O)C1CCC1)Nc1ccccc1
InChIInChI=1S/C15H22N4O.HI/c16-15(19-13-8-2-1-3-9-13)18-11-5-10-17-14(20)12-6-4-7-12;/h1-3,8-9,12H,4-7,10-11H2,(H,17,20)(H3,16,18,19);1H
InChIKeyMLVJMQYQZYRBDB-UHFFFAOYSA-N
XLogP2.34
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

Analyze N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;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

N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752383
N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752271
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752297
1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110915897
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
2-[4-(2-methylpiperidin-1-yl)butyl]-1-phenylguanidine;hydroiodide
CID 110915715
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752348
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111030481
tert-butyl N-[4-[[amino(anilino)methylidene]amino]butyl]carbamate
CID 110026726
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The IUPAC name of N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide (CID 111752283) is N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide.
What is the SMILES notation for N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The canonical SMILES for N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide is I.N/C(=N\CCCNC(=O)C1CCC1)Nc1ccccc1.
What is the InChIKey of N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
The InChIKey is MLVJMQYQZYRBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.HI/c16-15(19-13-8-2-1-3-9-13)18-11-5-10-17-14(20)12-6-4-7-12;/h1-3,8-9,12H,4-7,10-11H2,(H,17,20)(H3,16,18,19);1H.
What are the key properties of N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide?
N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide has a molecular weight of 402.28 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide is sourced from PubChem (CID 111752283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).