N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum

C13H21I2N3Pt — CID 87351737

IUPACN,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum
SMILESC=Cn1ccn(C)c1=[Pt].IN(I)C1CCCCCC1
InChIInChI=1S/C7H13I2N.C6H8N2.Pt/c8-10(9)7-5-3-1-2-4-6-7;1-3-8-5-4-7(2)6-8;/h7H,1-6H2;3-5H,1H2,2H3;
InChIKeyRTEOUTSOHZPPEP-UHFFFAOYSA-N
MW668.22 g/mol
LogP4.72
Rot. Bonds2

About N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum

N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum (PubChem CID 87351737) has the molecular formula C13H21I2N3Pt and a molecular weight of 668.22 g/mol. Its IUPAC name is N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum.

Molecular Properties

Compound NameN,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum
PubChem CID87351737
Molecular FormulaC13H21I2N3Pt
Molecular Weight668.22 g/mol
Exact Mass667.95
IUPAC NameN,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum
SMILESC=Cn1ccn(C)c1=[Pt].IN(I)C1CCCCCC1
InChIInChI=1S/C7H13I2N.C6H8N2.Pt/c8-10(9)7-5-3-1-2-4-6-7;1-3-8-5-4-7(2)6-8;/h7H,1-6H2;3-5H,1H2,2H3;
InChIKeyRTEOUTSOHZPPEP-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
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-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
CID 87352489
(1-ethenyl-3-methylimidazol-2-ylidene)platinum;(4-methylphenyl)methanamine
CID 160927601
carbanide;cyclohexylazanide;(1,3-dimethylimidazol-2-ylidene)platinum
CID 169079349
(1-cyclohexyl-3-methylimidazol-2-ylidene)platinum;cyclopropanamine
CID 157264535
(1,3-dicyclopropyl-4-methylimidazol-2-ylidene)platinum;N,N-diiodocyclobutanamine
CID 87352258
(1-tert-butyl-3-methylimidazol-2-ylidene)platinum;cyclobutanamine
CID 160672100
N,N-dibromocyclohexanamine;(1,3-dimethyl-4,5-diphenylimidazol-2-ylidene)platinum
CID 87351879
N,N-dibromobicyclo[2.2.1]heptan-1-amine;(1,3-dimethylimidazol-2-ylidene)platinum
CID 87351736
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62035518
N-[bis(prop-2-enyl)silylmethyl]-N-methylcyclohexanamine
CID 174048137
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290

Frequently Asked Questions

What is the IUPAC name of N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum?
The IUPAC name of N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum (CID 87351737) is N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum.
What is the SMILES notation for N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum?
The canonical SMILES for N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum is C=Cn1ccn(C)c1=[Pt].IN(I)C1CCCCCC1.
What is the InChIKey of N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum?
The InChIKey is RTEOUTSOHZPPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I2N.C6H8N2.Pt/c8-10(9)7-5-3-1-2-4-6-7;1-3-8-5-4-7(2)6-8;/h7H,1-6H2;3-5H,1H2,2H3;.
What are the key properties of N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum?
N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum has a molecular weight of 668.22 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diiodocycloheptanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum is sourced from PubChem (CID 87351737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).