5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine

C16H28N2 — CID 69284078

IUPAC5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine
SMILESC1=CCCCC(N2CCC/C=N\CCC2)CCC1
InChIInChI=1S/C16H28N2/c1-2-4-6-11-16(10-5-3-1)18-14-8-7-12-17-13-9-15-18/h1-2,12,16H,3-11,13-15H2/b2-1?,17-12-
InChIKeyGHEKCUYYNSZXMI-PSJQZTDXSA-N
MW248.41 g/mol
LogP3.82
Rot. Bonds1

About 5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine

5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine (PubChem CID 69284078) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine.

Molecular Properties

Compound Name5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine
PubChem CID69284078
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine
SMILESC1=CCCCC(N2CCC/C=N\CCC2)CCC1
InChIInChI=1S/C16H28N2/c1-2-4-6-11-16(10-5-3-1)18-14-8-7-12-17-13-9-15-18/h1-2,12,16H,3-11,13-15H2/b2-1?,17-12-
InChIKeyGHEKCUYYNSZXMI-PSJQZTDXSA-N
XLogP3.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
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 5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine?
The IUPAC name of 5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine (CID 69284078) is 5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine.
What is the SMILES notation for 5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine?
The canonical SMILES for 5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine is C1=CCCCC(N2CCC/C=N\CCC2)CCC1.
What is the InChIKey of 5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine?
The InChIKey is GHEKCUYYNSZXMI-PSJQZTDXSA-N. The full InChI is InChI=1S/C16H28N2/c1-2-4-6-11-16(10-5-3-1)18-14-8-7-12-17-13-9-15-18/h1-2,12,16H,3-11,13-15H2/b2-1?,17-12-.
What are the key properties of 5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine?
5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine has a molecular weight of 248.41 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine is sourced from PubChem (CID 69284078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).