dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate

C26H34Cu2N10S4 — CID 139081439

IUPACdicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate
SMILESC/C(=N\CCN(C)C)c1ccccn1.C/C(=N\CCN(C)C)c1ccccn1.[Cu+2].[Cu+2].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S
InChIInChI=1S/2C11H17N3.4CNS.2Cu/c2*1-10(12-8-9-14(2)3)11-6-4-5-7-13-11;4*2-1-3;;/h2*4-7H,8-9H2,1-3H3;;;;;;/q;;4*-1;2*+2/b2*12-10+;;;;;;
InChIKeyRAAFPYMEOZMBQA-FUAVRRLFSA-N
MW741.99 g/mol
LogP5.53
Rot. Bonds8

About dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate

dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate (PubChem CID 139081439) has the molecular formula C26H34Cu2N10S4 and a molecular weight of 741.99 g/mol. Its IUPAC name is dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate.

Molecular Properties

Compound Namedicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate
PubChem CID139081439
Molecular FormulaC26H34Cu2N10S4
Molecular Weight741.99 g/mol
Exact Mass740.04
IUPAC Namedicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate
SMILESC/C(=N\CCN(C)C)c1ccccn1.C/C(=N\CCN(C)C)c1ccccn1.[Cu+2].[Cu+2].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S
InChIInChI=1S/2C11H17N3.4CNS.2Cu/c2*1-10(12-8-9-14(2)3)11-6-4-5-7-13-11;4*2-1-3;;/h2*4-7H,8-9H2,1-3H3;;;;;;/q;;4*-1;2*+2/b2*12-10+;;;;;;
InChIKeyRAAFPYMEOZMBQA-FUAVRRLFSA-N
XLogP5.53
TPSA146.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.99
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
N-butyl-1-pyridin-2-ylethanimine
CID 583773
zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate
CID 139068771
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine
CID 139178723
dichlorovanadium;3-(1-pyridin-2-ylethylideneamino)propan-1-ol
CID 59378654
N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
CID 102087049
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
[(E)-1-pyridin-2-ylethylideneamino]methylthiourea
CID 145130202
2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride
CID 54606002
1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea
CID 71346320
copper;bis(phenyl(pyridin-2-yl)methanone);diisothiocyanate
CID 139144534

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate?
The IUPAC name of dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate (CID 139081439) is dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate.
What is the SMILES notation for dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate?
The canonical SMILES for dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate is C/C(=N\CCN(C)C)c1ccccn1.C/C(=N\CCN(C)C)c1ccccn1.[Cu+2].[Cu+2].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.
What is the InChIKey of dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate?
The InChIKey is RAAFPYMEOZMBQA-FUAVRRLFSA-N. The full InChI is InChI=1S/2C11H17N3.4CNS.2Cu/c2*1-10(12-8-9-14(2)3)11-6-4-5-7-13-11;4*2-1-3;;/h2*4-7H,8-9H2,1-3H3;;;;;;/q;;4*-1;2*+2/b2*12-10+;;;;;;.
What are the key properties of dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate?
dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate has a molecular weight of 741.99 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate is sourced from PubChem (CID 139081439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).