N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum

C15H23I2N3Pt — CID 87352316

IUPACN,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum
SMILESC=CCn1ccn(C)c1=[Pt].IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C8H13I2N.C7H10N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-3-4-9-6-5-8(2)7-9;/h7H,1-6H2;3,5-6H,1,4H2,2H3;
InChIKeyJFPVLLBRBZEEMU-UHFFFAOYSA-N
MW694.26 g/mol
LogP4.80
Rot. Bonds3

About N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum

N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum (PubChem CID 87352316) has the molecular formula C15H23I2N3Pt and a molecular weight of 694.26 g/mol. Its IUPAC name is N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum.

Molecular Properties

Compound NameN,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum
PubChem CID87352316
Molecular FormulaC15H23I2N3Pt
Molecular Weight694.26 g/mol
Exact Mass693.96
IUPAC NameN,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum
SMILESC=CCn1ccn(C)c1=[Pt].IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C8H13I2N.C7H10N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-3-4-9-6-5-8(2)7-9;/h7H,1-6H2;3,5-6H,1,4H2,2H3;
InChIKeyJFPVLLBRBZEEMU-UHFFFAOYSA-N
XLogP4.80
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500694.26
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum?
The IUPAC name of N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum (CID 87352316) is N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum.
What is the SMILES notation for N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum?
The canonical SMILES for N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum is C=CCn1ccn(C)c1=[Pt].IN(I)C12CCC(CC1)CC2.
What is the InChIKey of N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum?
The InChIKey is JFPVLLBRBZEEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I2N.C7H10N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-3-4-9-6-5-8(2)7-9;/h7H,1-6H2;3,5-6H,1,4H2,2H3;.
What are the key properties of N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum?
N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum has a molecular weight of 694.26 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-prop-2-enylimidazol-2-ylidene)platinum is sourced from PubChem (CID 87352316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).