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

C19H31I2N3Pt — CID 87352173

IUPAC[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCn1ccn(CC2CCCCC2)c1=[Pt].IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C11H18N2.C8H13I2N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;9-11(10)8-4-1-7(2-5-8)3-6-8;/h7-8,11H,2-6,9H2,1H3;7H,1-6H2;
InChIKeyHVBTWRXWRLKEJC-UHFFFAOYSA-N
MW750.36 g/mol
LogP6.20
Rot. Bonds3

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

[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (PubChem CID 87352173) has the molecular formula C19H31I2N3Pt and a molecular weight of 750.36 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
PubChem CID87352173
Molecular FormulaC19H31I2N3Pt
Molecular Weight750.36 g/mol
Exact Mass750.03
IUPAC Name[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCn1ccn(CC2CCCCC2)c1=[Pt].IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C11H18N2.C8H13I2N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;9-11(10)8-4-1-7(2-5-8)3-6-8;/h7-8,11H,2-6,9H2,1H3;7H,1-6H2;
InChIKeyHVBTWRXWRLKEJC-UHFFFAOYSA-N
XLogP6.20
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.36
LogP ≤ 56.20
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-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The IUPAC name of [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (CID 87352173) is [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The canonical SMILES for [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine is Cn1ccn(CC2CCCCC2)c1=[Pt].IN(I)C12CCC(CC1)CC2.
What is the InChIKey of [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The InChIKey is HVBTWRXWRLKEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C8H13I2N.Pt/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;9-11(10)8-4-1-7(2-5-8)3-6-8;/h7-8,11H,2-6,9H2,1H3;7H,1-6H2;.
What are the key properties of [1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
[1-(cyclohexylmethyl)-3-methylimidazol-2-ylidene]platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine has a molecular weight of 750.36 g/mol, XLogP of 6.20, 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-diiodobicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 87352173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).