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

C16H28N2 — CID 70499445

IUPAC3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine
SMILESC1=CCC(N2CCCCCC=NC2)CCCCC1
InChIInChI=1S/C16H28N2/c1-2-4-8-12-16(11-7-3-1)18-14-10-6-5-9-13-17-15-18/h3,7,13,16H,1-2,4-6,8-12,14-15H2
InChIKeyNXSRLCVOWMILOD-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.17
Rot. Bonds1

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

3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine (PubChem CID 70499445) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine.

Molecular Properties

Compound Name3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine
PubChem CID70499445
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine
SMILESC1=CCC(N2CCCCCC=NC2)CCCCC1
InChIInChI=1S/C16H28N2/c1-2-4-8-12-16(11-7-3-1)18-14-10-6-5-9-13-17-15-18/h3,7,13,16H,1-2,4-6,8-12,14-15H2
InChIKeyNXSRLCVOWMILOD-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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 3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine?
The IUPAC name of 3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine (CID 70499445) is 3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine.
What is the SMILES notation for 3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine?
The canonical SMILES for 3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine is C1=CCC(N2CCCCCC=NC2)CCCCC1.
What is the InChIKey of 3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine?
The InChIKey is NXSRLCVOWMILOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-2-4-8-12-16(11-7-3-1)18-14-10-6-5-9-13-17-15-18/h3,7,13,16H,1-2,4-6,8-12,14-15H2.
What are the key properties of 3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine?
3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine has a molecular weight of 248.41 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine is sourced from PubChem (CID 70499445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).