cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride

C9H21Cl2N3OPt — CID 139127783

IUPACcyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride
SMILESCN(C)C=O.NC1CCC(N)CC1.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C6H14N2.C3H7NO.2ClH.Pt/c7-5-1-2-6(8)4-3-5;1-4(2)3-5;;;/h5-6H,1-4,7-8H2;3H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeySUSNDSYVAIAWBX-UHFFFAOYSA-L
MW453.27 g/mol
LogP-6.08
Rot. Bonds1

About cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride

cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride (PubChem CID 139127783) has the molecular formula C9H21Cl2N3OPt and a molecular weight of 453.27 g/mol. Its IUPAC name is cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride.

Molecular Properties

Compound Namecyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride
PubChem CID139127783
Molecular FormulaC9H21Cl2N3OPt
Molecular Weight453.27 g/mol
Exact Mass452.07
IUPAC Namecyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride
SMILESCN(C)C=O.NC1CCC(N)CC1.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C6H14N2.C3H7NO.2ClH.Pt/c7-5-1-2-6(8)4-3-5;1-4(2)3-5;;;/h5-6H,1-4,7-8H2;3H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeySUSNDSYVAIAWBX-UHFFFAOYSA-L
XLogP-6.08
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.27
LogP ≤ 5-6.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride?
The IUPAC name of cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride (CID 139127783) is cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride.
What is the SMILES notation for cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride?
The canonical SMILES for cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride is CN(C)C=O.NC1CCC(N)CC1.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride?
The InChIKey is SUSNDSYVAIAWBX-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14N2.C3H7NO.2ClH.Pt/c7-5-1-2-6(8)4-3-5;1-4(2)3-5;;;/h5-6H,1-4,7-8H2;3H,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride?
cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride has a molecular weight of 453.27 g/mol, XLogP of -6.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-diamine;N,N-dimethylformamide;platinum(2+);dichloride is sourced from PubChem (CID 139127783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).