[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine

C15H25I2N3Pt — CID 87352017

IUPAC[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine
SMILESCn1ccn(CC2CCCCC2)c1=[Pt].IN(I)C1CCC1
InChIInChI=1S/C11H18N2.C4H7I2N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;5-7(6)4-2-1-3-4;/h7-8,11H,2-6,9H2,1H3;4H,1-3H2;
InChIKeyIZKHDFPAQDEPAL-UHFFFAOYSA-N
MW696.27 g/mol
LogP5.03
Rot. Bonds3

About [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine

[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine (PubChem CID 87352017) has the molecular formula C15H25I2N3Pt and a molecular weight of 696.27 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine
PubChem CID87352017
Molecular FormulaC15H25I2N3Pt
Molecular Weight696.27 g/mol
Exact Mass695.98
IUPAC Name[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine
SMILESCn1ccn(CC2CCCCC2)c1=[Pt].IN(I)C1CCC1
InChIInChI=1S/C11H18N2.C4H7I2N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;5-7(6)4-2-1-3-4;/h7-8,11H,2-6,9H2,1H3;4H,1-3H2;
InChIKeyIZKHDFPAQDEPAL-UHFFFAOYSA-N
XLogP5.03
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.27
LogP ≤ 55.03
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'}

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Related Compounds

[1-(Cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum
CID 44206705
1-(cyclohexylmethyl)-3-methyl-2H-imidazole
CID 46237237
(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
CID 87351605
[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocycloheptanamine
CID 87352219
[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine
CID 87352220
[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclopropanamine
CID 87352253
[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclopentanamine
CID 87352289
1,2-dimethyl-3-(4-methylcyclohexyl)-2H-imidazole
CID 129019234
1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide
CID 173062605

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine?
The IUPAC name of [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine (CID 87352017) is [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine.
What is the SMILES notation for [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine?
The canonical SMILES for [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine is Cn1ccn(CC2CCCCC2)c1=[Pt].IN(I)C1CCC1.
What is the InChIKey of [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine?
The InChIKey is IZKHDFPAQDEPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C4H7I2N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;5-7(6)4-2-1-3-4;/h7-8,11H,2-6,9H2,1H3;4H,1-3H2;.
What are the key properties of [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine?
[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine has a molecular weight of 696.27 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclobutanamine is sourced from PubChem (CID 87352017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).