copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)

C18H26CuN6O2 — CID 135528783

IUPACcopper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)
SMILESCNCc1cccc(/C(C)=N/O)n1.CNCc1cccc(/C(C)=N/O)n1.[Cu]
InChIInChI=1S/2C9H13N3O.Cu/c2*1-7(12-13)9-5-3-4-8(11-9)6-10-2;/h2*3-5,10,13H,6H2,1-2H3;/b2*12-7+;
InChIKeyZQHGOWKIOCKBIB-PZNGMHCYSA-N
MW421.99 g/mol
LogP2.00
Rot. Bonds6

About copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)

copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine) (PubChem CID 135528783) has the molecular formula C18H26CuN6O2 and a molecular weight of 421.99 g/mol. Its IUPAC name is copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine).

Molecular Properties

Compound Namecopper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)
PubChem CID135528783
Molecular FormulaC18H26CuN6O2
Molecular Weight421.99 g/mol
Exact Mass421.14
IUPAC Namecopper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)
SMILESCNCc1cccc(/C(C)=N/O)n1.CNCc1cccc(/C(C)=N/O)n1.[Cu]
InChIInChI=1S/2C9H13N3O.Cu/c2*1-7(12-13)9-5-3-4-8(11-9)6-10-2;/h2*3-5,10,13H,6H2,1-2H3;/b2*12-7+;
InChIKeyZQHGOWKIOCKBIB-PZNGMHCYSA-N
XLogP2.00
TPSA115.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.99
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768
1-[6-(fluoromethyl)-2-pyridinyl]-N-methylmethanamine
CID 84763498
N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine
CID 142476631
tert-butyl N-[[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]methyl]-N-methylcarbamate
CID 135417251
(NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
CID 135871346
N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
CID 162770634
N,N-dimethyl-6-(methylaminomethyl)pyridin-2-amine
CID 62280515
1-[6-(2-ethoxyethyl)-2-pyridinyl]-N-methylmethanamine
CID 123245136
2-methyl-N-[2-[6-(methylaminomethyl)-2-pyridinyl]ethyl]propan-2-amine
CID 155164272
ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid
CID 166148087
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608

Frequently Asked Questions

What is the IUPAC name of copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)?
The IUPAC name of copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine) (CID 135528783) is copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine).
What is the SMILES notation for copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)?
The canonical SMILES for copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine) is CNCc1cccc(/C(C)=N/O)n1.CNCc1cccc(/C(C)=N/O)n1.[Cu].
What is the InChIKey of copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)?
The InChIKey is ZQHGOWKIOCKBIB-PZNGMHCYSA-N. The full InChI is InChI=1S/2C9H13N3O.Cu/c2*1-7(12-13)9-5-3-4-8(11-9)6-10-2;/h2*3-5,10,13H,6H2,1-2H3;/b2*12-7+;.
What are the key properties of copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)?
copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine) has a molecular weight of 421.99 g/mol, XLogP of 2.00, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine) is sourced from PubChem (CID 135528783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).