dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine

C16H26Cu2N6+2 — CID 5232461

IUPACdicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine
SMILESC1=CC(/C=N\CC/N=C\C2CCNCC2)=CC[N-]1.CC#N.[Cu+2].[Cu+2].[NH2-]
InChIInChI=1S/C14H21N4.C2H3N.2Cu.H2N/c1-5-15-6-2-13(1)11-17-9-10-18-12-14-3-7-16-8-4-14;1-2-3;;;/h1-2,5,11-12,14,16H,3-4,6-10H2;1H3;;;1H2/q-1;;2*+2;-1/b17-11-,18-12-;;;;
InChIKeyNZLWYYVFTMCIIL-LOZHZBHNSA-N
MW429.52 g/mol
LogP3.20
Rot. Bonds5

About dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine

dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine (PubChem CID 5232461) has the molecular formula C16H26Cu2N6+2 and a molecular weight of 429.52 g/mol. Its IUPAC name is dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine.

Molecular Properties

Compound Namedicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine
PubChem CID5232461
Molecular FormulaC16H26Cu2N6+2
Molecular Weight429.52 g/mol
Exact Mass428.08
IUPAC Namedicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine
SMILESC1=CC(/C=N\CC/N=C\C2CCNCC2)=CC[N-]1.CC#N.[Cu+2].[Cu+2].[NH2-]
InChIInChI=1S/C14H21N4.C2H3N.2Cu.H2N/c1-5-15-6-2-13(1)11-17-9-10-18-12-14-3-7-16-8-4-14;1-2-3;;;/h1-2,5,11-12,14,16H,3-4,6-10H2;1H3;;;1H2/q-1;;2*+2;-1/b17-11-,18-12-;;;;
InChIKeyNZLWYYVFTMCIIL-LOZHZBHNSA-N
XLogP3.20
TPSA108.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine with MolForge

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Related Compounds

N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine
CID 5232462
dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine
CID 50921186

Frequently Asked Questions

What is the IUPAC name of dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine?
The IUPAC name of dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine (CID 5232461) is dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine.
What is the SMILES notation for dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine?
The canonical SMILES for dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine is C1=CC(/C=N\CC/N=C\C2CCNCC2)=CC[N-]1.CC#N.[Cu+2].[Cu+2].[NH2-].
What is the InChIKey of dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine?
The InChIKey is NZLWYYVFTMCIIL-LOZHZBHNSA-N. The full InChI is InChI=1S/C14H21N4.C2H3N.2Cu.H2N/c1-5-15-6-2-13(1)11-17-9-10-18-12-14-3-7-16-8-4-14;1-2-3;;;/h1-2,5,11-12,14,16H,3-4,6-10H2;1H3;;;1H2/q-1;;2*+2;-1/b17-11-,18-12-;;;;.
What are the key properties of dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine?
dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine has a molecular weight of 429.52 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;acetonitrile;azanide;1-piperidin-4-yl-N-[2-(2H-pyridin-1-id-4-ylmethylideneamino)ethyl]methanimine is sourced from PubChem (CID 5232461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).