(3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine

C16H25I2N3Pt — CID 87352318

IUPAC(3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCc1cn(C)c(=[Pt])n1C1CC1.IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C8H13I2N.C8H12N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-7-5-9(2)6-10(7)8-3-4-8;/h7H,1-6H2;5,8H,3-4H2,1-2H3;
InChIKeyIQEGBCQYYORUGF-UHFFFAOYSA-N
MW708.28 g/mol
LogP5.26
Rot. Bonds2

About (3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine

(3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (PubChem CID 87352318) has the molecular formula C16H25I2N3Pt and a molecular weight of 708.28 g/mol. Its IUPAC name is (3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name(3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
PubChem CID87352318
Molecular FormulaC16H25I2N3Pt
Molecular Weight708.28 g/mol
Exact Mass707.98
IUPAC Name(3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCc1cn(C)c(=[Pt])n1C1CC1.IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C8H13I2N.C8H12N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-7-5-9(2)6-10(7)8-3-4-8;/h7H,1-6H2;5,8H,3-4H2,1-2H3;
InChIKeyIQEGBCQYYORUGF-UHFFFAOYSA-N
XLogP5.26
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.28
LogP ≤ 55.26
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 (3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The IUPAC name of (3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (CID 87352318) is (3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for (3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The canonical SMILES for (3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine is Cc1cn(C)c(=[Pt])n1C1CC1.IN(I)C12CCC(CC1)CC2.
What is the InChIKey of (3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The InChIKey is IQEGBCQYYORUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I2N.C8H12N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-7-5-9(2)6-10(7)8-3-4-8;/h7H,1-6H2;5,8H,3-4H2,1-2H3;.
What are the key properties of (3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
(3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine has a molecular weight of 708.28 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,4-dimethylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 87352318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).