(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine

C14H23I2N3Pt — CID 87351605

IUPAC(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
SMILESCn1ccn(C2CCCCC2)c1=[Pt].IN(I)C1CCC1
InChIInChI=1S/C10H16N2.C4H7I2N.Pt/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;5-7(6)4-2-1-3-4;/h7-8,10H,2-6H2,1H3;4H,1-3H2;
InChIKeyCAOQJXYRMDIXED-UHFFFAOYSA-N
MW682.24 g/mol
LogP4.95
Rot. Bonds2

About (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine

(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine (PubChem CID 87351605) has the molecular formula C14H23I2N3Pt and a molecular weight of 682.24 g/mol. Its IUPAC name is (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine.

Molecular Properties

Compound Name(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
PubChem CID87351605
Molecular FormulaC14H23I2N3Pt
Molecular Weight682.24 g/mol
Exact Mass681.96
IUPAC Name(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
SMILESCn1ccn(C2CCCCC2)c1=[Pt].IN(I)C1CCC1
InChIInChI=1S/C10H16N2.C4H7I2N.Pt/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;5-7(6)4-2-1-3-4;/h7-8,10H,2-6H2,1H3;4H,1-3H2;
InChIKeyCAOQJXYRMDIXED-UHFFFAOYSA-N
XLogP4.95
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500682.24
LogP ≤ 54.95
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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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
The IUPAC name of (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine (CID 87351605) is (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine.
What is the SMILES notation for (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
The canonical SMILES for (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine is Cn1ccn(C2CCCCC2)c1=[Pt].IN(I)C1CCC1.
What is the InChIKey of (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
The InChIKey is CAOQJXYRMDIXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C4H7I2N.Pt/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;5-7(6)4-2-1-3-4;/h7-8,10H,2-6H2,1H3;4H,1-3H2;.
What are the key properties of (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine has a molecular weight of 682.24 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine is sourced from PubChem (CID 87351605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).