(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine

C19H31I2N3Pt — CID 87352119

IUPAC(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
SMILESIN(I)C1CCC1.[Pt]=c1n(C2CCCCC2)ccn1C1CCCCC1
InChIInChI=1S/C15H24N2.C4H7I2N.Pt/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;5-7(6)4-2-1-3-4;/h11-12,14-15H,1-10H2;4H,1-3H2;
InChIKeyDYCIONDBRNIIIR-UHFFFAOYSA-N
MW750.36 g/mol
LogP6.92
Rot. Bonds3

About (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine

(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine (PubChem CID 87352119) has the molecular formula C19H31I2N3Pt and a molecular weight of 750.36 g/mol. Its IUPAC name is (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine.

Molecular Properties

Compound Name(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
PubChem CID87352119
Molecular FormulaC19H31I2N3Pt
Molecular Weight750.36 g/mol
Exact Mass750.03
IUPAC Name(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
SMILESIN(I)C1CCC1.[Pt]=c1n(C2CCCCC2)ccn1C1CCCCC1
InChIInChI=1S/C15H24N2.C4H7I2N.Pt/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;5-7(6)4-2-1-3-4;/h11-12,14-15H,1-10H2;4H,1-3H2;
InChIKeyDYCIONDBRNIIIR-UHFFFAOYSA-N
XLogP6.92
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.36
LogP ≤ 56.92
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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Related Compounds

(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine
CID 87352500
(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
CID 87352258
N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum
CID 87351737
(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;cyclopropanamine
CID 157264535
N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
CID 87352489
carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum
CID 169079349
1-cyclopentyl-4-methylpyrazine-2,3-dione
CID 134160439
1-cyclooctyl-4-iodopyrrole-2-carboxylic acid
CID 114603756
1,3-dicyclohexylimidazol-1-ium-2-carbaldehyde
CID 102429803
4-cyclohexyl-1,2,4-triazol-3-amine
CID 62710575
3,5-diamino-1-cyclohexylpyridin-2-one
CID 105460853
1-cyclopentyl-6-methylimidazo[1,2-b]pyrazole
CID 121214779

Frequently Asked Questions

What is the IUPAC name of (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
The IUPAC name of (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine (CID 87352119) is (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine.
What is the SMILES notation for (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
The canonical SMILES for (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine is IN(I)C1CCC1.[Pt]=c1n(C2CCCCC2)ccn1C1CCCCC1.
What is the InChIKey of (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
The InChIKey is DYCIONDBRNIIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C4H7I2N.Pt/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;5-7(6)4-2-1-3-4;/h11-12,14-15H,1-10H2;4H,1-3H2;.
What are the key properties of (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine has a molecular weight of 750.36 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine is sourced from PubChem (CID 87352119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).