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

C15H23I2N3Pt — CID 87352124

IUPAC(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCn1ccn(C2CC2)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;1-8-4-5-9(6-8)7-2-3-7;/h7H,1-6H2;4-5,7H,2-3H2,1H3;
InChIKeyUCKQQOJAYRLUCQ-UHFFFAOYSA-N
MW694.26 g/mol
LogP4.95
Rot. Bonds2

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

(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (PubChem CID 87352124) has the molecular formula C15H23I2N3Pt and a molecular weight of 694.26 g/mol. Its IUPAC name is (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
PubChem CID87352124
Molecular FormulaC15H23I2N3Pt
Molecular Weight694.26 g/mol
Exact Mass693.96
IUPAC Name(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine
SMILESCn1ccn(C2CC2)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;1-8-4-5-9(6-8)7-2-3-7;/h7H,1-6H2;4-5,7H,2-3H2,1H3;
InChIKeyUCKQQOJAYRLUCQ-UHFFFAOYSA-N
XLogP4.95
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500694.26
LogP ≤ 54.95
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'}

Analyze (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 87351596
CID 87351596
CID 87351893
CID 87351893
CID 87352015
CID 87352015
CID 87352045
CID 87352045
CID 87352074
CID 87352074
CID 87352173
CID 87352173
CID 87352220
CID 87352220
CID 87352232
CID 87352232
CID 87352253
CID 87352253
CID 87352316
CID 87352316
CID 87352318
CID 87352318
CID 87352367
CID 87352367

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The IUPAC name of (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine (CID 87352124) is (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The canonical SMILES for (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine is Cn1ccn(C2CC2)c1=[Pt].IN(I)C12CCC(CC1)CC2.
What is the InChIKey of (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
The InChIKey is UCKQQOJAYRLUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13I2N.C7H10N2.Pt/c9-11(10)8-4-1-7(2-5-8)3-6-8;1-8-4-5-9(6-8)7-2-3-7;/h7H,1-6H2;4-5,7H,2-3H2,1H3;.
What are the key properties of (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine?
(1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine has a molecular weight of 694.26 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodobicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 87352124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).