chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine

C13H14ClNPd — CID 54682191

IUPACchloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine
SMILESCN(C)Cc1[c-]c2ccccc2cc1.Cl[Pd+]
InChIInChI=1S/C13H14N.ClH.Pd/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11;;/h3-8H,10H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyKWKALJFSCCEIEN-UHFFFAOYSA-M
MW326.13 g/mol
LogP3.39
Rot. Bonds2

About chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine

chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine (PubChem CID 54682191) has the molecular formula C13H14ClNPd and a molecular weight of 326.13 g/mol. Its IUPAC name is chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine.

Molecular Properties

Compound Namechloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine
PubChem CID54682191
Molecular FormulaC13H14ClNPd
Molecular Weight326.13 g/mol
Exact Mass324.98
IUPAC Namechloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine
SMILESCN(C)Cc1[c-]c2ccccc2cc1.Cl[Pd+]
InChIInChI=1S/C13H14N.ClH.Pd/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11;;/h3-8H,10H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyKWKALJFSCCEIEN-UHFFFAOYSA-M
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride
CID 5257018
lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine
CID 177470513
N,N-dimethyl-1-[2-(1H-naphthalen-1-id-2-yl)cyclopenta-1,4-dien-1-yl]methanamine;2,2-dimethylpropan-1-ol;titanium;dihydrochloride
CID 87584560
cobalt;1H-naphthalen-1-id-2-amine
CID 88845481
N,N-dimethyl-1-[4-(1H-naphthalen-1-id-2-yl)cyclopenta-1,4-dien-1-yl]methanamine;phenylmethanol;titanium(3+);dichloride
CID 87493026
CID 15863483
CID 15863483
gold(1+);1H-naphthalen-1-ide-2-thiol
CID 87433558
sodium 9H-anthracen-9-ide
CID 86121808
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
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

Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine?
The IUPAC name of chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine (CID 54682191) is chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine.
What is the SMILES notation for chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine?
The canonical SMILES for chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine is CN(C)Cc1[c-]c2ccccc2cc1.Cl[Pd+].
What is the InChIKey of chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine?
The InChIKey is KWKALJFSCCEIEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14N.ClH.Pd/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11;;/h3-8H,10H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine?
chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine has a molecular weight of 326.13 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine is sourced from PubChem (CID 54682191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).