bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride

C24H39ClN4Pd2 — CID 5257018

IUPACbis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride
SMILESCN(C)Cc1[c-]c(CN(C)C)ccc1.CN(C)Cc1[c-]c(CN(C)C)ccc1.Cl.[Pd+2].[Pd]
InChIInChI=1S/2C12H19N2.ClH.2Pd/c2*1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;;;/h2*5-7H,9-10H2,1-4H3;1H;;/q2*-1;;;+2
InChIKeyOHYSTIJCWVEMHW-UHFFFAOYSA-N
MW631.90 g/mol
LogP3.64
Rot. Bonds8

About bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride

bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride (PubChem CID 5257018) has the molecular formula C24H39ClN4Pd2 and a molecular weight of 631.90 g/mol. Its IUPAC name is bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride.

Molecular Properties

Compound Namebis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride
PubChem CID5257018
Molecular FormulaC24H39ClN4Pd2
Molecular Weight631.90 g/mol
Exact Mass630.09
IUPAC Namebis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride
SMILESCN(C)Cc1[c-]c(CN(C)C)ccc1.CN(C)Cc1[c-]c(CN(C)C)ccc1.Cl.[Pd+2].[Pd]
InChIInChI=1S/2C12H19N2.ClH.2Pd/c2*1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;;;/h2*5-7H,9-10H2,1-4H3;1H;;/q2*-1;;;+2
InChIKeyOHYSTIJCWVEMHW-UHFFFAOYSA-N
XLogP3.64
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.90
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54725089
bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54713754
1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+)
CID 54719324
chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine
CID 54682191
acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium
CID 59987071
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate
CID 6397520
benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide
CID 54725612
1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;(8E)-3,14-dioxa-18-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene-2,15-dione;platinum(2+);tetrafluoroborate
CID 11170222
lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine
CID 177470513
1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
CID 86030016
1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine
CID 135395590

Frequently Asked Questions

What is the IUPAC name of bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride?
The IUPAC name of bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride (CID 5257018) is bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride.
What is the SMILES notation for bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride?
The canonical SMILES for bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride is CN(C)Cc1[c-]c(CN(C)C)ccc1.CN(C)Cc1[c-]c(CN(C)C)ccc1.Cl.[Pd+2].[Pd].
What is the InChIKey of bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride?
The InChIKey is OHYSTIJCWVEMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H19N2.ClH.2Pd/c2*1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;;;/h2*5-7H,9-10H2,1-4H3;1H;;/q2*-1;;;+2.
What are the key properties of bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride?
bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride has a molecular weight of 631.90 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride is sourced from PubChem (CID 5257018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).