N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum

C15H19I2N3Pt — CID 87351935

IUPACN,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum
SMILESCn1cc(-c2ccccc2)n(C)c1=[Pt].IN(I)C1CCC1
InChIInChI=1S/C11H12N2.C4H7I2N.Pt/c1-12-8-11(13(2)9-12)10-6-4-3-5-7-10;5-7(6)4-2-1-3-4;/h3-8H,1-2H3;4H,1-3H2;
InChIKeyXEKHBMWWZCSAJY-UHFFFAOYSA-N
MW690.22 g/mol
LogP4.65
Rot. Bonds2

About N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum

N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum (PubChem CID 87351935) has the molecular formula C15H19I2N3Pt and a molecular weight of 690.22 g/mol. Its IUPAC name is N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum.

Molecular Properties

Compound NameN,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum
PubChem CID87351935
Molecular FormulaC15H19I2N3Pt
Molecular Weight690.22 g/mol
Exact Mass689.93
IUPAC NameN,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum
SMILESCn1cc(-c2ccccc2)n(C)c1=[Pt].IN(I)C1CCC1
InChIInChI=1S/C11H12N2.C4H7I2N.Pt/c1-12-8-11(13(2)9-12)10-6-4-3-5-7-10;5-7(6)4-2-1-3-4;/h3-8H,1-2H3;4H,1-3H2;
InChIKeyXEKHBMWWZCSAJY-UHFFFAOYSA-N
XLogP4.65
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500690.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum 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,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum
CID 87351879
N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum
CID 87351737
(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
CID 87352258
(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
CID 87352119
N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
CID 87352489
1-[[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-3-methyl-4-phenylimidazole-2-thione
CID 34886516
1-hydroxy-3-methyl-4-phenylimidazole-2-thione
CID 24784482
N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
CID 109400408
N-cyclohexyl-N-ethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 55374229
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 59920990
1-methyl-5-phenylpyrrol-3-ol
CID 21290942
N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide
CID 66681847

Frequently Asked Questions

What is the IUPAC name of N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum?
The IUPAC name of N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum (CID 87351935) is N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum.
What is the SMILES notation for N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum?
The canonical SMILES for N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum is Cn1cc(-c2ccccc2)n(C)c1=[Pt].IN(I)C1CCC1.
What is the InChIKey of N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum?
The InChIKey is XEKHBMWWZCSAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C4H7I2N.Pt/c1-12-8-11(13(2)9-12)10-6-4-3-5-7-10;5-7(6)4-2-1-3-4;/h3-8H,1-2H3;4H,1-3H2;.
What are the key properties of N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum?
N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum has a molecular weight of 690.22 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diiodocyclobutanamine;(1,3-dimethyl-4-phenylimidazol-2-ylidene)platinum is sourced from PubChem (CID 87351935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).