(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine

C13H21I2N3Pt — CID 87352302

IUPAC(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine
SMILESCn1ccn(C2CCCCC2)c1=[Pt].IN(I)C1CC1
InChIInChI=1S/C10H16N2.C3H5I2N.Pt/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;4-6(5)3-1-2-3;/h7-8,10H,2-6H2,1H3;3H,1-2H2;
InChIKeyDUGIYYZOMMCSRG-UHFFFAOYSA-N
MW668.22 g/mol
LogP4.56
Rot. Bonds2

About (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine

(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine (PubChem CID 87352302) has the molecular formula C13H21I2N3Pt and a molecular weight of 668.22 g/mol. Its IUPAC name is (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine.

Molecular Properties

Compound Name(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine
PubChem CID87352302
Molecular FormulaC13H21I2N3Pt
Molecular Weight668.22 g/mol
Exact Mass667.95
IUPAC Name(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine
SMILESCn1ccn(C2CCCCC2)c1=[Pt].IN(I)C1CC1
InChIInChI=1S/C10H16N2.C3H5I2N.Pt/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;4-6(5)3-1-2-3;/h7-8,10H,2-6H2,1H3;3H,1-2H2;
InChIKeyDUGIYYZOMMCSRG-UHFFFAOYSA-N
XLogP4.56
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.22
LogP ≤ 54.56
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-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine?
The IUPAC name of (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine (CID 87352302) is (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine.
What is the SMILES notation for (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine?
The canonical SMILES for (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine is Cn1ccn(C2CCCCC2)c1=[Pt].IN(I)C1CC1.
What is the InChIKey of (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine?
The InChIKey is DUGIYYZOMMCSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C3H5I2N.Pt/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;4-6(5)3-1-2-3;/h7-8,10H,2-6H2,1H3;3H,1-2H2;.
What are the key properties of (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine?
(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine has a molecular weight of 668.22 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;N,N-diiodocyclopropanamine is sourced from PubChem (CID 87352302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).