acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium

C12H19NO2Pd-2 — CID 59987071

IUPACacetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium
SMILESCC(=O)O.CN(C)Cc1[c-]cccc1.[CH3-].[Pd]
InChIInChI=1S/C9H12N.C2H4O2.CH3.Pd/c1-10(2)8-9-6-4-3-5-7-9;1-2(3)4;;/h3-6H,8H2,1-2H3;1H3,(H,3,4);1H3;/q-1;;-1;
InChIKeyJMARCKIZULJKPU-UHFFFAOYSA-N
MW315.71 g/mol
LogP2.09
Rot. Bonds2

About acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium

acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium (PubChem CID 59987071) has the molecular formula C12H19NO2Pd-2 and a molecular weight of 315.71 g/mol. Its IUPAC name is acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium.

Molecular Properties

Compound Nameacetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium
PubChem CID59987071
Molecular FormulaC12H19NO2Pd-2
Molecular Weight315.71 g/mol
Exact Mass315.05
IUPAC Nameacetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium
SMILESCC(=O)O.CN(C)Cc1[c-]cccc1.[CH3-].[Pd]
InChIInChI=1S/C9H12N.C2H4O2.CH3.Pd/c1-10(2)8-9-6-4-3-5-7-9;1-2(3)4;;/h3-6H,8H2,1-2H3;1H3,(H,3,4);1H3;/q-1;;-1;
InChIKeyJMARCKIZULJKPU-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 54725612
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CID 6397520
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CID 15822463
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CID 139241603
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N,N-di(ethyl)acetamide;ethane;ethylbenzene;yttrium(3+)
CID 162283583
bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride
CID 5257018
4-phenylbutanoic acid;tungsten(2+)
CID 172532886
bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine
CID 146001766
methylbenzene;propanoic acid;zinc
CID 175093711
phenylmethylbenzene;tungsten(2+)
CID 23570247
bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine
CID 146001765

Frequently Asked Questions

What is the IUPAC name of acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium?
The IUPAC name of acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium (CID 59987071) is acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium.
What is the SMILES notation for acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium?
The canonical SMILES for acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium is CC(=O)O.CN(C)Cc1[c-]cccc1.[CH3-].[Pd].
What is the InChIKey of acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium?
The InChIKey is JMARCKIZULJKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.C2H4O2.CH3.Pd/c1-10(2)8-9-6-4-3-5-7-9;1-2(3)4;;/h3-6H,8H2,1-2H3;1H3,(H,3,4);1H3;/q-1;;-1;.
What are the key properties of acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium?
acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium has a molecular weight of 315.71 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium is sourced from PubChem (CID 59987071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).