platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine

C16H18N4Pt — CID 59254130

IUPACplatinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine
SMILESC(=N/C1CCCCC1/N=C/c1ccc[n-]1)\c1ccc[n-]1.[Pt+2]
InChIInChI=1S/C16H18N4.Pt/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13;/h3-6,9-12,15-16H,1-2,7-8H2;/q-2;+2/b19-11+,20-12+;
InChIKeyDIPORHMKEPJSRW-BYCVLTJGSA-N
MW461.43 g/mol
LogP2.45
Rot. Bonds4

About platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine

platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine (PubChem CID 59254130) has the molecular formula C16H18N4Pt and a molecular weight of 461.43 g/mol. Its IUPAC name is platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine.

Molecular Properties

Compound Nameplatinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine
PubChem CID59254130
Molecular FormulaC16H18N4Pt
Molecular Weight461.43 g/mol
Exact Mass461.12
IUPAC Nameplatinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine
SMILESC(=N/C1CCCCC1/N=C/c1ccc[n-]1)\c1ccc[n-]1.[Pt+2]
InChIInChI=1S/C16H18N4.Pt/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13;/h3-6,9-12,15-16H,1-2,7-8H2;/q-2;+2/b19-11+,20-12+;
InChIKeyDIPORHMKEPJSRW-BYCVLTJGSA-N
XLogP2.45
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine
CID 4269899
magnesium 2-[(Z)-2H-pyrrol-1-id-5-ylidenemethyl]-5-[(Z)-[(5Z)-5-(pyrrol-1-id-2-ylmethylidene)pyrrol-1-id-2-ylidene]methyl]pyrrol-1-ide
CID 139592091
bis(N-cyclohexyl-1-pyrrol-1-id-2-ylmethanimine);dichlorotitanium
CID 11397222
1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;iron(2+);dichloride
CID 53350280
N,N'-Bis(1H-pyrrol-2-ylmethylene)cyclohexane-1,2-diamine
CID 136034023
[1,2-Bis(1H-pyrrol-2-ylmethyleneamino)ethane-kappa^4^N]iron(II)
CID 139070385
[N,N'-Bis(pyrrol-2-ylmethylene)cyclohexane-1,2-diaminato-kappa^4^N]nickel(II)
CID 139071886
Bis{2-[(phenylimino)methyl]-1H-pyrrol-1-ido}palladium(II)
CID 139084966
carbanide;bis(N-cyclohexyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+)
CID 139242534
bis(N-cyclohexyl-1-pyrrol-1-id-2-ylmethanimine);propane;titanium(4+)
CID 139242543
Bis{2-[(phenylimino)ethyl]-1H-pyrrol-1-ido-\ kappa^2^N,N'}nickel(II)
CID 168307969
dichloroiron;1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)cyclohexyl]methanimine
CID 176423551

Frequently Asked Questions

What is the IUPAC name of platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine?
The IUPAC name of platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine (CID 59254130) is platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine.
What is the SMILES notation for platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine?
The canonical SMILES for platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine is C(=N/C1CCCCC1/N=C/c1ccc[n-]1)\c1ccc[n-]1.[Pt+2].
What is the InChIKey of platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine?
The InChIKey is DIPORHMKEPJSRW-BYCVLTJGSA-N. The full InChI is InChI=1S/C16H18N4.Pt/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13;/h3-6,9-12,15-16H,1-2,7-8H2;/q-2;+2/b19-11+,20-12+;.
What are the key properties of platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine?
platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine has a molecular weight of 461.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);1-pyrrol-1-id-2-yl-N-[2-(pyrrol-1-id-2-ylmethylideneamino)cyclohexyl]methanimine is sourced from PubChem (CID 59254130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).