butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+))

C14H26Au2N2O2 — CID 140717551

IUPACbutyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+))
SMILESCCCC[N-]C1[CH+]C([N-]CCCC)C(O)[CH-]C1O.[Au+].[Au+]
InChIInChI=1S/C14H26N2O2.2Au/c1-3-5-7-15-11-9-12(16-8-6-4-2)14(18)10-13(11)17;;/h9-14,17-18H,3-8H2,1-2H3;;/q-2;2*+1
InChIKeyDYVYSXWRVUODIH-UHFFFAOYSA-N
MW648.31 g/mol
LogP2.21
Rot. Bonds8

About butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+))

butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+)) (PubChem CID 140717551) has the molecular formula C14H26Au2N2O2 and a molecular weight of 648.31 g/mol. Its IUPAC name is butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+)).

Molecular Properties

Compound Namebutyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+))
PubChem CID140717551
Molecular FormulaC14H26Au2N2O2
Molecular Weight648.31 g/mol
Exact Mass648.13
IUPAC Namebutyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+))
SMILESCCCC[N-]C1[CH+]C([N-]CCCC)C(O)[CH-]C1O.[Au+].[Au+]
InChIInChI=1S/C14H26N2O2.2Au/c1-3-5-7-15-11-9-12(16-8-6-4-2)14(18)10-13(11)17;;/h9-14,17-18H,3-8H2,1-2H3;;/q-2;2*+1
InChIKeyDYVYSXWRVUODIH-UHFFFAOYSA-N
XLogP2.21
TPSA68.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500648.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+))?
The IUPAC name of butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+)) (CID 140717551) is butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+)).
What is the SMILES notation for butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+))?
The canonical SMILES for butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+)) is CCCC[N-]C1[CH+]C([N-]CCCC)C(O)[CH-]C1O.[Au+].[Au+].
What is the InChIKey of butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+))?
The InChIKey is DYVYSXWRVUODIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.2Au/c1-3-5-7-15-11-9-12(16-8-6-4-2)14(18)10-13(11)17;;/h9-14,17-18H,3-8H2,1-2H3;;/q-2;2*+1.
What are the key properties of butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+))?
butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+)) has a molecular weight of 648.31 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(5-butylazanidyl-2,4-dihydroxycyclohexyl)azanide;bis(gold(1+)) is sourced from PubChem (CID 140717551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).