chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine

C18H21ClN2Pt — CID 66572690

IUPACchloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine
SMILESCc1c[c-]c(-c2ccccc2/C=N/CCN(C)C)cc1.Cl[Pt+]
InChIInChI=1S/C18H21N2.ClH.Pt/c1-15-8-10-16(11-9-15)18-7-5-4-6-17(18)14-19-12-13-20(2)3;;/h4-10,14H,12-13H2,1-3H3;1H;/q-1;;+2/p-1/b19-14+;;
InChIKeyJKLKROUNZBVDDV-ZWXFCGGNSA-M
MW495.91 g/mol
LogP4.13
Rot. Bonds5

About chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine

chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine (PubChem CID 66572690) has the molecular formula C18H21ClN2Pt and a molecular weight of 495.91 g/mol. Its IUPAC name is chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine.

Molecular Properties

Compound Namechloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine
PubChem CID66572690
Molecular FormulaC18H21ClN2Pt
Molecular Weight495.91 g/mol
Exact Mass495.10
IUPAC Namechloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine
SMILESCc1c[c-]c(-c2ccccc2/C=N/CCN(C)C)cc1.Cl[Pt+]
InChIInChI=1S/C18H21N2.ClH.Pt/c1-15-8-10-16(11-9-15)18-7-5-4-6-17(18)14-19-12-13-20(2)3;;/h4-10,14H,12-13H2,1-3H3;1H;/q-1;;+2/p-1/b19-14+;;
InChIKeyJKLKROUNZBVDDV-ZWXFCGGNSA-M
XLogP4.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.91
LogP ≤ 54.13
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

2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol
CID 137090728
N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine
CID 12048915
2-[(8-bromonaphthalen-1-yl)methylideneamino]-N,N-dimethylethanamine
CID 132933361
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302
N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 102262356
1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine
CID 59301881
zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate
CID 139068771
5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
CID 136879981
dicopper;bis(4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolate);diacetate
CID 139174487
2-[(4-fluorophenyl)methylideneamino]-N,N-dimethylethanamine
CID 102365312
2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane
CID 143665839
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine?
The IUPAC name of chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine (CID 66572690) is chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine.
What is the SMILES notation for chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine?
The canonical SMILES for chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine is Cc1c[c-]c(-c2ccccc2/C=N/CCN(C)C)cc1.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine?
The InChIKey is JKLKROUNZBVDDV-ZWXFCGGNSA-M. The full InChI is InChI=1S/C18H21N2.ClH.Pt/c1-15-8-10-16(11-9-15)18-7-5-4-6-17(18)14-19-12-13-20(2)3;;/h4-10,14H,12-13H2,1-3H3;1H;/q-1;;+2/p-1/b19-14+;;.
What are the key properties of chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine?
chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine has a molecular weight of 495.91 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine is sourced from PubChem (CID 66572690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).