(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine

C18H29I2N3Pt — CID 87352232

IUPAC(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCn1ccn(C2CCCCC2)c1=[Pt].IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C10H16N2.C8H13I2N.Pt/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;9-11(10)8-4-1-7(2-5-8)3-6-8;/h7-8,10H,2-6H2,1H3;7H,1-6H2;
InChIKeyRPCOYVMRKTXXOS-UHFFFAOYSA-N
MW736.34 g/mol
LogP6.12
Rot. Bonds2

About (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine

(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (PubChem CID 87352232) has the molecular formula C18H29I2N3Pt and a molecular weight of 736.34 g/mol. Its IUPAC name is (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
PubChem CID87352232
Molecular FormulaC18H29I2N3Pt
Molecular Weight736.34 g/mol
Exact Mass736.01
IUPAC Name(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCn1ccn(C2CCCCC2)c1=[Pt].IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C10H16N2.C8H13I2N.Pt/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;9-11(10)8-4-1-7(2-5-8)3-6-8;/h7-8,10H,2-6H2,1H3;7H,1-6H2;
InChIKeyRPCOYVMRKTXXOS-UHFFFAOYSA-N
XLogP6.12
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.34
LogP ≤ 56.12
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-diiodobicyclo[2.2.2]octan-1-amine?
The IUPAC name of (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (CID 87352232) is (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The canonical SMILES for (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine is Cn1ccn(C2CCCCC2)c1=[Pt].IN(I)C12CCC(CC1)CC2.
What is the InChIKey of (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The InChIKey is RPCOYVMRKTXXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C8H13I2N.Pt/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;9-11(10)8-4-1-7(2-5-8)3-6-8;/h7-8,10H,2-6H2,1H3;7H,1-6H2;.
What are the key properties of (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine has a molecular weight of 736.34 g/mol, XLogP of 6.12, 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-diiodobicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 87352232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).