(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine

C14H21I2N3Pt — CID 87352258

IUPAC(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
SMILESCc1cn(C2CC2)c(=[Pt])n1C1CC1.IN(I)C1CCC1
InChIInChI=1S/C10H14N2.C4H7I2N.Pt/c1-8-6-11(9-2-3-9)7-12(8)10-4-5-10;5-7(6)4-2-1-3-4;/h6,9-10H,2-5H2,1H3;4H,1-3H2;
InChIKeyLPKNVKFJOPUXJA-UHFFFAOYSA-N
MW680.23 g/mol
LogP4.89
Rot. Bonds3

About (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine

(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine (PubChem CID 87352258) has the molecular formula C14H21I2N3Pt and a molecular weight of 680.23 g/mol. Its IUPAC name is (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine.

Molecular Properties

Compound Name(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
PubChem CID87352258
Molecular FormulaC14H21I2N3Pt
Molecular Weight680.23 g/mol
Exact Mass679.95
IUPAC Name(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
SMILESCc1cn(C2CC2)c(=[Pt])n1C1CC1.IN(I)C1CCC1
InChIInChI=1S/C10H14N2.C4H7I2N.Pt/c1-8-6-11(9-2-3-9)7-12(8)10-4-5-10;5-7(6)4-2-1-3-4;/h6,9-10H,2-5H2,1H3;4H,1-3H2;
InChIKeyLPKNVKFJOPUXJA-UHFFFAOYSA-N
XLogP4.89
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500680.23
LogP ≤ 54.89
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-diiodocyclobutanamine
CID 87352119
N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum
CID 87351737
(1,3-dicyclohexylimidazol-2-ylidene)platinum;N,N-diiodo-1-(4-methylphenyl)methanamine
CID 87352500
1-cyclopropyl-2-methylpyrrole
CID 22288599
1-cyclobutyl-4-methylimidazol-2-amine
CID 103840674
N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
CID 87352489
N-cyclobutyl-1-cyclopropyl-4-methylimidazol-2-amine
CID 106571424
1-cyclopropyl-2-methylindol-7-amine
CID 115017102
N-(1-cyclohexyl-4-methylimidazol-2-yl)-N-methylpiperidin-3-amine
CID 106551809
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 96671961
3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione
CID 69179314
1-cyclopropyl-4-methyl-N-(1-methylcyclopentyl)imidazol-2-amine
CID 106574506

Frequently Asked Questions

What is the IUPAC name of (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
The IUPAC name of (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine (CID 87352258) is (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine.
What is the SMILES notation for (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
The canonical SMILES for (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine is Cc1cn(C2CC2)c(=[Pt])n1C1CC1.IN(I)C1CCC1.
What is the InChIKey of (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
The InChIKey is LPKNVKFJOPUXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C4H7I2N.Pt/c1-8-6-11(9-2-3-9)7-12(8)10-4-5-10;5-7(6)4-2-1-3-4;/h6,9-10H,2-5H2,1H3;4H,1-3H2;.
What are the key properties of (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine?
(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine has a molecular weight of 680.23 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine is sourced from PubChem (CID 87352258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).