chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine

C20H27ClN2Pt — CID 54693396

IUPACchloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine
SMILESCl[Pt+].[c-]1c(/C=N/C2CCCCC2)cccc1/C=N/C1CCCCC1
InChIInChI=1S/C20H27N2.ClH.Pt/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20;;/h7-9,15-16,19-20H,1-6,10-13H2;1H;/q-1;;+2/p-1/b21-15+,22-16+;;
InChIKeyADXXFOFNJDSJBI-VIDIEQDGSA-M
MW525.98 g/mol
LogP5.68
Rot. Bonds4

About chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine

chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine (PubChem CID 54693396) has the molecular formula C20H27ClN2Pt and a molecular weight of 525.98 g/mol. Its IUPAC name is chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine.

Molecular Properties

Compound Namechloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine
PubChem CID54693396
Molecular FormulaC20H27ClN2Pt
Molecular Weight525.98 g/mol
Exact Mass525.15
IUPAC Namechloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine
SMILESCl[Pt+].[c-]1c(/C=N/C2CCCCC2)cccc1/C=N/C1CCCCC1
InChIInChI=1S/C20H27N2.ClH.Pt/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20;;/h7-9,15-16,19-20H,1-6,10-13H2;1H;/q-1;;+2/p-1/b21-15+,22-16+;;
InChIKeyADXXFOFNJDSJBI-VIDIEQDGSA-M
XLogP5.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.98
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

copper(1+);N-cyclohexyl-1-phenylmethanimine
CID 135046006
N-cyclohexyl-1-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-yl]methanimine
CID 6396320
lithium N-cyclohexyl-1-phenylmethanimine
CID 9990184
chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine
CID 11455281
N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine
CID 101770058

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine?
The IUPAC name of chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine (CID 54693396) is chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine.
What is the SMILES notation for chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine?
The canonical SMILES for chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine is Cl[Pt+].[c-]1c(/C=N/C2CCCCC2)cccc1/C=N/C1CCCCC1.
What is the InChIKey of chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine?
The InChIKey is ADXXFOFNJDSJBI-VIDIEQDGSA-M. The full InChI is InChI=1S/C20H27N2.ClH.Pt/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20;;/h7-9,15-16,19-20H,1-6,10-13H2;1H;/q-1;;+2/p-1/b21-15+,22-16+;;.
What are the key properties of chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine?
chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine has a molecular weight of 525.98 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine is sourced from PubChem (CID 54693396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).