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

C15H25I2N3Pt — CID 87351596

IUPACN,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum
SMILESCC(C)n1ccn(C)c1=[Pt].IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C8H13I2N.C7H12N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-7(2)9-5-4-8(3)6-9;/h7H,1-6H2;4-5,7H,1-3H3;
InChIKeyNSADJRNCEQWNRP-UHFFFAOYSA-N
MW696.27 g/mol
LogP5.20
Rot. Bonds2

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

N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum (PubChem CID 87351596) has the molecular formula C15H25I2N3Pt and a molecular weight of 696.27 g/mol. Its IUPAC name is N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum.

Molecular Properties

Compound NameN,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum
PubChem CID87351596
Molecular FormulaC15H25I2N3Pt
Molecular Weight696.27 g/mol
Exact Mass695.98
IUPAC NameN,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum
SMILESCC(C)n1ccn(C)c1=[Pt].IN(I)C12CCC(CC1)CC2
InChIInChI=1S/C8H13I2N.C7H12N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-7(2)9-5-4-8(3)6-9;/h7H,1-6H2;4-5,7H,1-3H3;
InChIKeyNSADJRNCEQWNRP-UHFFFAOYSA-N
XLogP5.20
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.27
LogP ≤ 55.20
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 N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum?
The IUPAC name of N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum (CID 87351596) is N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum.
What is the SMILES notation for N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum?
The canonical SMILES for N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum is CC(C)n1ccn(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-propan-2-ylimidazol-2-ylidene)platinum?
The InChIKey is NSADJRNCEQWNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I2N.C7H12N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-7(2)9-5-4-8(3)6-9;/h7H,1-6H2;4-5,7H,1-3H3;.
What are the key properties of N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum?
N,N-diiodobicyclo[2.2.2]octan-1-amine;(1-methyl-3-propan-2-ylimidazol-2-ylidene)platinum has a molecular weight of 696.27 g/mol, XLogP of 5.20, 2 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-propan-2-ylimidazol-2-ylidene)platinum is sourced from PubChem (CID 87351596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).