ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride

C20H31ClNPPd — CID 10139283

IUPACditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride
SMILESCC(C)(C)PC(C)(C)C.CN(C)c1cccc2ccc[c-]c12.[Cl-].[Pd+2]
InChIInChI=1S/C12H12N.C8H19P.ClH.Pd/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-7(2,3)9-8(4,5)6;;/h3-7,9H,1-2H3;9H,1-6H3;1H;/q-1;;;+2/p-1
InChIKeyRHNTXGIYTBGAKA-UHFFFAOYSA-M
MW458.32 g/mol
LogP2.97
Rot. Bonds1

About ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride

ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride (PubChem CID 10139283) has the molecular formula C20H31ClNPPd and a molecular weight of 458.32 g/mol. Its IUPAC name is ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride.

Molecular Properties

Compound Nameditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride
PubChem CID10139283
Molecular FormulaC20H31ClNPPd
Molecular Weight458.32 g/mol
Exact Mass457.09
IUPAC Nameditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride
SMILESCC(C)(C)PC(C)(C)C.CN(C)c1cccc2ccc[c-]c12.[Cl-].[Pd+2]
InChIInChI=1S/C12H12N.C8H19P.ClH.Pd/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-7(2,3)9-8(4,5)6;;/h3-7,9H,1-2H3;9H,1-6H3;1H;/q-1;;;+2/p-1
InChIKeyRHNTXGIYTBGAKA-UHFFFAOYSA-M
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(trifluoromethyl)-1H-naphthalen-1-ide;yttrium
CID 166533772
2-[2,6-bis(dimethylamino)phenyl]phosphanyl-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 18705990
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
3-chloro-N,N-dimethyl-2-(trifluoromethyl)aniline
CID 67610403
lithium 8-naphthalen-1-yl-1H-naphthalen-1-ide
CID 177406030
beryllium bis(10H-benzo[h]quinolin-10-ide)
CID 156697230
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
bis(10H-benzo[h]quinolin-10-ide);iridium;10-methylbenzo[h]quinoline
CID 59480620
ditert-butylphosphane;mercury(1+);chloride
CID 171375109
bis[2,6-bis(dimethylamino)phenyl]tin
CID 11282229
3,3-dimethyl-9H-benzo[g][1,3]benzazasilol-9-ide;lawrencium
CID 70790256
ditert-butyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium(2+)
CID 163409763

Frequently Asked Questions

What is the IUPAC name of ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride?
The IUPAC name of ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride (CID 10139283) is ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride.
What is the SMILES notation for ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride?
The canonical SMILES for ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride is CC(C)(C)PC(C)(C)C.CN(C)c1cccc2ccc[c-]c12.[Cl-].[Pd+2].
What is the InChIKey of ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride?
The InChIKey is RHNTXGIYTBGAKA-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N.C8H19P.ClH.Pd/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-7(2,3)9-8(4,5)6;;/h3-7,9H,1-2H3;9H,1-6H3;1H;/q-1;;;+2/p-1.
What are the key properties of ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride?
ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride has a molecular weight of 458.32 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butylphosphane;N,N-dimethyl-8H-naphthalen-8-id-1-amine;palladium(2+);chloride is sourced from PubChem (CID 10139283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).