tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+))

C24H56Cu2N8O4+2 — CID 6849603

IUPACtetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+))
SMILESCC(CC(C)(C)N)=NO.CC(CC(C)(C)N)=NO.CC(CC(C)(C)N)=NO.CC(CC(C)(C)N)=NO.[Cu+].[Cu+]
InChIInChI=1S/4C6H14N2O.2Cu/c4*1-5(8-9)4-6(2,3)7;;/h4*9H,4,7H2,1-3H3;;/q;;;;2*+1
InChIKeyLRZLQDOEYWJNTM-UHFFFAOYSA-N
MW647.86 g/mol
LogP3.85
Rot. Bonds8

About tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+))

tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+)) (PubChem CID 6849603) has the molecular formula C24H56Cu2N8O4+2 and a molecular weight of 647.86 g/mol. Its IUPAC name is tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+)).

Molecular Properties

Compound Nametetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+))
PubChem CID6849603
Molecular FormulaC24H56Cu2N8O4+2
Molecular Weight647.86 g/mol
Exact Mass646.30
IUPAC Nametetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+))
SMILESCC(CC(C)(C)N)=NO.CC(CC(C)(C)N)=NO.CC(CC(C)(C)N)=NO.CC(CC(C)(C)N)=NO.[Cu+].[Cu+]
InChIInChI=1S/4C6H14N2O.2Cu/c4*1-5(8-9)4-6(2,3)7;;/h4*9H,4,7H2,1-3H3;;/q;;;;2*+1
InChIKeyLRZLQDOEYWJNTM-UHFFFAOYSA-N
XLogP3.85
TPSA234.44 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500647.86
LogP ≤ 53.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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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Frequently Asked Questions

What is the IUPAC name of tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+))?
The IUPAC name of tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+)) (CID 6849603) is tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+)).
What is the SMILES notation for tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+))?
The canonical SMILES for tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+)) is CC(CC(C)(C)N)=NO.CC(CC(C)(C)N)=NO.CC(CC(C)(C)N)=NO.CC(CC(C)(C)N)=NO.[Cu+].[Cu+].
What is the InChIKey of tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+))?
The InChIKey is LRZLQDOEYWJNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H14N2O.2Cu/c4*1-5(8-9)4-6(2,3)7;;/h4*9H,4,7H2,1-3H3;;/q;;;;2*+1.
What are the key properties of tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+))?
tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+)) has a molecular weight of 647.86 g/mol, XLogP of 3.85, 8 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+)) is sourced from PubChem (CID 6849603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).