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

C17H29I2N3Pt — CID 87352220

IUPAC[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine
SMILESCn1ccn(CC2CCCCC2)c1=[Pt].IN(I)C1CCCCC1
InChIInChI=1S/C11H18N2.C6H11I2N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;7-9(8)6-4-2-1-3-5-6;/h7-8,11H,2-6,9H2,1H3;6H,1-5H2;
InChIKeyLSGNLKZLYXYQCX-UHFFFAOYSA-N
MW724.33 g/mol
LogP5.81
Rot. Bonds3

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

[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine (PubChem CID 87352220) has the molecular formula C17H29I2N3Pt and a molecular weight of 724.33 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine
PubChem CID87352220
Molecular FormulaC17H29I2N3Pt
Molecular Weight724.33 g/mol
Exact Mass724.01
IUPAC Name[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine
SMILESCn1ccn(CC2CCCCC2)c1=[Pt].IN(I)C1CCCCC1
InChIInChI=1S/C11H18N2.C6H11I2N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;7-9(8)6-4-2-1-3-5-6;/h7-8,11H,2-6,9H2,1H3;6H,1-5H2;
InChIKeyLSGNLKZLYXYQCX-UHFFFAOYSA-N
XLogP5.81
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.33
LogP ≤ 55.81
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 [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine?
The IUPAC name of [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine (CID 87352220) is [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine.
What is the SMILES notation for [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine?
The canonical SMILES for [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine is Cn1ccn(CC2CCCCC2)c1=[Pt].IN(I)C1CCCCC1.
What is the InChIKey of [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine?
The InChIKey is LSGNLKZLYXYQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C6H11I2N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;7-9(8)6-4-2-1-3-5-6;/h7-8,11H,2-6,9H2,1H3;6H,1-5H2;.
What are the key properties of [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine?
[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodocyclohexanamine has a molecular weight of 724.33 g/mol, XLogP of 5.81, 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-diiodocyclohexanamine is sourced from PubChem (CID 87352220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).