carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride

C15H23ClN2Pd — CID 10237263

IUPACcarbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride
SMILESCCC(=N\C)/C(CCc1ccccc1)=N\C.[CH3-].[Cl-].[Pd+2]
InChIInChI=1S/C14H20N2.CH3.ClH.Pd/c1-4-13(15-2)14(16-3)11-10-12-8-6-5-7-9-12;;;/h5-9H,4,10-11H2,1-3H3;1H3;1H;/q;-1;;+2/p-1/b15-13+,16-14-;;;
InChIKeyRFTIICQKGOBVRA-ZABSRPNWSA-M
MW373.24 g/mol
LogP0.62
Rot. Bonds5

About carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride

carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride (PubChem CID 10237263) has the molecular formula C15H23ClN2Pd and a molecular weight of 373.24 g/mol. Its IUPAC name is carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride.

Molecular Properties

Compound Namecarbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride
PubChem CID10237263
Molecular FormulaC15H23ClN2Pd
Molecular Weight373.24 g/mol
Exact Mass372.06
IUPAC Namecarbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride
SMILESCCC(=N\C)/C(CCc1ccccc1)=N\C.[CH3-].[Cl-].[Pd+2]
InChIInChI=1S/C14H20N2.CH3.ClH.Pd/c1-4-13(15-2)14(16-3)11-10-12-8-6-5-7-9-12;;;/h5-9H,4,10-11H2,1-3H3;1H3;1H;/q;-1;;+2/p-1/b15-13+,16-14-;;;
InChIKeyRFTIICQKGOBVRA-ZABSRPNWSA-M
XLogP0.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

carbanide;chloropalladium(1+);dichloromethane;bis(3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine)
CID 161150276
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CID 19437711
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
N-ethyl-N'-methyl-3-phenylpropanimidamide
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methanamine;1-phenylpentan-3-one
CID 167492251
dibenzyl(dihydroxy)azanium
CID 87501623
carbanide;3-phenylpropanamide;yttrium
CID 160557542
4-methylidene-6-phenylhexan-3-one
CID 13485260
3-phenylpropanoyl 3-amino-3-phenylpropanoate
CID 174426810
2-(hydroxyhydrazinylidene)-4-phenylbutanoic acid
CID 57264383
N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide
CID 89164600
phenol;4-phenylbutan-2-one
CID 160537429

Frequently Asked Questions

What is the IUPAC name of carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride?
The IUPAC name of carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride (CID 10237263) is carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride.
What is the SMILES notation for carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride?
The canonical SMILES for carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride is CCC(=N\C)/C(CCc1ccccc1)=N\C.[CH3-].[Cl-].[Pd+2].
What is the InChIKey of carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride?
The InChIKey is RFTIICQKGOBVRA-ZABSRPNWSA-M. The full InChI is InChI=1S/C14H20N2.CH3.ClH.Pd/c1-4-13(15-2)14(16-3)11-10-12-8-6-5-7-9-12;;;/h5-9H,4,10-11H2,1-3H3;1H3;1H;/q;-1;;+2/p-1/b15-13+,16-14-;;;.
What are the key properties of carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride?
carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride has a molecular weight of 373.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride is sourced from PubChem (CID 10237263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).