2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine

C16H28N2 — CID 70524739

IUPAC2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine
SMILESC1=CCCCC(N2CCCC=CCCN2)CCC1
InChIInChI=1S/C16H28N2/c1-2-5-9-13-16(12-8-4-1)18-15-11-7-3-6-10-14-17-18/h1-3,6,16-17H,4-5,7-15H2
InChIKeyXYBNNQNXQYTMGG-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.81
Rot. Bonds1

About 2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine

2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine (PubChem CID 70524739) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine.

Molecular Properties

Compound Name2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine
PubChem CID70524739
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine
SMILESC1=CCCCC(N2CCCC=CCCN2)CCC1
InChIInChI=1S/C16H28N2/c1-2-5-9-13-16(12-8-4-1)18-15-11-7-3-6-10-14-17-18/h1-3,6,16-17H,4-5,7-15H2
InChIKeyXYBNNQNXQYTMGG-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine?
The IUPAC name of 2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine (CID 70524739) is 2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine.
What is the SMILES notation for 2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine?
The canonical SMILES for 2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine is C1=CCCCC(N2CCCC=CCCN2)CCC1.
What is the InChIKey of 2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine?
The InChIKey is XYBNNQNXQYTMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-2-5-9-13-16(12-8-4-1)18-15-11-7-3-6-10-14-17-18/h1-3,6,16-17H,4-5,7-15H2.
What are the key properties of 2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine?
2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine has a molecular weight of 248.41 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclonon-5-en-1-yl-1,3,4,5,8,9-hexahydrodiazonine is sourced from PubChem (CID 70524739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).