bis(1-cyclooctylcyclooctyl)azaniumylideneazanide

C32H58N2 — CID 18630094

IUPACbis(1-cyclooctylcyclooctyl)azaniumylideneazanide
SMILES[N-]=[N+](C1(C2CCCCCCC2)CCCCCCC1)C1(C2CCCCCCC2)CCCCCCC1
InChIInChI=1S/C32H58N2/c33-34(31(25-17-9-3-10-18-26-31)29-21-13-5-1-6-14-22-29)32(27-19-11-4-12-20-28-32)30-23-15-7-2-8-16-24-30/h29-30H,1-28H2
InChIKeyNRMBHQUJFGPUGM-UHFFFAOYSA-N
MW470.83 g/mol
LogP10.71
Rot. Bonds4

About bis(1-cyclooctylcyclooctyl)azaniumylideneazanide

bis(1-cyclooctylcyclooctyl)azaniumylideneazanide (PubChem CID 18630094) has the molecular formula C32H58N2 and a molecular weight of 470.83 g/mol. Its IUPAC name is bis(1-cyclooctylcyclooctyl)azaniumylideneazanide.

Molecular Properties

Compound Namebis(1-cyclooctylcyclooctyl)azaniumylideneazanide
PubChem CID18630094
Molecular FormulaC32H58N2
Molecular Weight470.83 g/mol
Exact Mass470.46
IUPAC Namebis(1-cyclooctylcyclooctyl)azaniumylideneazanide
SMILES[N-]=[N+](C1(C2CCCCCCC2)CCCCCCC1)C1(C2CCCCCCC2)CCCCCCC1
InChIInChI=1S/C32H58N2/c33-34(31(25-17-9-3-10-18-26-31)29-21-13-5-1-6-14-22-29)32(27-19-11-4-12-20-28-32)30-23-15-7-2-8-16-24-30/h29-30H,1-28H2
InChIKeyNRMBHQUJFGPUGM-UHFFFAOYSA-N
XLogP10.71
TPSA25.31 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1-cyclooctylcyclooctyl)azaniumylideneazanide?
The IUPAC name of bis(1-cyclooctylcyclooctyl)azaniumylideneazanide (CID 18630094) is bis(1-cyclooctylcyclooctyl)azaniumylideneazanide.
What is the SMILES notation for bis(1-cyclooctylcyclooctyl)azaniumylideneazanide?
The canonical SMILES for bis(1-cyclooctylcyclooctyl)azaniumylideneazanide is [N-]=[N+](C1(C2CCCCCCC2)CCCCCCC1)C1(C2CCCCCCC2)CCCCCCC1.
What is the InChIKey of bis(1-cyclooctylcyclooctyl)azaniumylideneazanide?
The InChIKey is NRMBHQUJFGPUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N2/c33-34(31(25-17-9-3-10-18-26-31)29-21-13-5-1-6-14-22-29)32(27-19-11-4-12-20-28-32)30-23-15-7-2-8-16-24-30/h29-30H,1-28H2.
What are the key properties of bis(1-cyclooctylcyclooctyl)azaniumylideneazanide?
bis(1-cyclooctylcyclooctyl)azaniumylideneazanide has a molecular weight of 470.83 g/mol, XLogP of 10.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-cyclooctylcyclooctyl)azaniumylideneazanide is sourced from PubChem (CID 18630094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).