N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum

C19H24F3I2N3Pt — CID 87352489

IUPACN,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
SMILESCn1ccn(Cc2cccc(C(F)(F)F)c2)c1=[Pt].IN(I)C1CCCCCC1
InChIInChI=1S/C12H11F3N2.C7H13I2N.Pt/c1-16-5-6-17(9-16)8-10-3-2-4-11(7-10)12(13,14)15;8-10(9)7-5-3-1-2-4-6-7;/h2-7H,8H2,1H3;7H,1-6H2;
InChIKeyGJJZFPGLAKMQBX-UHFFFAOYSA-N
MW800.30 g/mol
LogP6.68
Rot. Bonds3

About N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum

N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum (PubChem CID 87352489) has the molecular formula C19H24F3I2N3Pt and a molecular weight of 800.30 g/mol. Its IUPAC name is N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum.

Molecular Properties

Compound NameN,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
PubChem CID87352489
Molecular FormulaC19H24F3I2N3Pt
Molecular Weight800.30 g/mol
Exact Mass799.97
IUPAC NameN,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum
SMILESCn1ccn(Cc2cccc(C(F)(F)F)c2)c1=[Pt].IN(I)C1CCCCCC1
InChIInChI=1S/C12H11F3N2.C7H13I2N.Pt/c1-16-5-6-17(9-16)8-10-3-2-4-11(7-10)12(13,14)15;8-10(9)7-5-3-1-2-4-6-7;/h2-7H,8H2,1H3;7H,1-6H2;
InChIKeyGJJZFPGLAKMQBX-UHFFFAOYSA-N
XLogP6.68
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.30
LogP ≤ 56.68
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

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CID 176730709
N-cyclohexyl-2-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3394372
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea
CID 3898974
N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(trifluoromethyl)benzamide
CID 5126941
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 55095836
3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 10177110
1-cyclohexyl-3-(2-fluorophenyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea
CID 4001174
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
4-cyclobutyl-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 138739814
1-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42762818
[4-(aminomethyl)phenyl]methanamine;cyclohexanamine;N,1-dimethylpiperidin-4-amine;[3-(trifluoromethyl)phenyl]methanamine
CID 70122063

Frequently Asked Questions

What is the IUPAC name of N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum?
The IUPAC name of N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum (CID 87352489) is N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum.
What is the SMILES notation for N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum?
The canonical SMILES for N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum is Cn1ccn(Cc2cccc(C(F)(F)F)c2)c1=[Pt].IN(I)C1CCCCCC1.
What is the InChIKey of N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum?
The InChIKey is GJJZFPGLAKMQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2.C7H13I2N.Pt/c1-16-5-6-17(9-16)8-10-3-2-4-11(7-10)12(13,14)15;8-10(9)7-5-3-1-2-4-6-7;/h2-7H,8H2,1H3;7H,1-6H2;.
What are the key properties of N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum?
N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum has a molecular weight of 800.30 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diiodocycloheptanamine;[1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-ylidene]platinum is sourced from PubChem (CID 87352489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).