3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one

C24H47N2O2- — CID 87908193

IUPAC3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one
SMILESCCCCCCCCCC1CC(=O)CN(CCCCCCCCC)CN([O-])C1
InChIInChI=1S/C24H47N2O2/c1-3-5-7-9-11-13-15-17-23-19-24(27)21-25(22-26(28)20-23)18-16-14-12-10-8-6-4-2/h23H,3-22H2,1-2H3/q-1
InChIKeyFVVSDNVZGGIBLL-UHFFFAOYSA-N
MW395.65 g/mol
LogP6.53
Rot. Bonds16

About 3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one

3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one (PubChem CID 87908193) has the molecular formula C24H47N2O2- and a molecular weight of 395.65 g/mol. Its IUPAC name is 3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one.

Molecular Properties

Compound Name3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one
PubChem CID87908193
Molecular FormulaC24H47N2O2-
Molecular Weight395.65 g/mol
Exact Mass395.36
IUPAC Name3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one
SMILESCCCCCCCCCC1CC(=O)CN(CCCCCCCCC)CN([O-])C1
InChIInChI=1S/C24H47N2O2/c1-3-5-7-9-11-13-15-17-23-19-24(27)21-25(22-26(28)20-23)18-16-14-12-10-8-6-4-2/h23H,3-22H2,1-2H3/q-1
InChIKeyFVVSDNVZGGIBLL-UHFFFAOYSA-N
XLogP6.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.65
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-dodecyl-1-methylpyrrolidin-2-one
CID 175232910
5-tridecylcyclohexane-1,3-dione
CID 71394051
4-undecylcyclopentane-1,2-dione
CID 54303237
3-pentylcyclopentan-1-one
CID 11040911
(3S)-3-hexylcyclohexan-1-one
CID 15091678
3-octylcyclohexan-1-one
CID 11830718
1,3-dipentylimidazolidin-4-one
CID 70598443
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442
1,3-di(tridecyl)piperidine
CID 162511834
4-decylcyclohexan-1-one
CID 13479948
1-pentadecylpiperidin-4-one
CID 10267366

Frequently Asked Questions

What is the IUPAC name of 3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one?
The IUPAC name of 3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one (CID 87908193) is 3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one.
What is the SMILES notation for 3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one?
The canonical SMILES for 3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one is CCCCCCCCCC1CC(=O)CN(CCCCCCCCC)CN([O-])C1.
What is the InChIKey of 3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one?
The InChIKey is FVVSDNVZGGIBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N2O2/c1-3-5-7-9-11-13-15-17-23-19-24(27)21-25(22-26(28)20-23)18-16-14-12-10-8-6-4-2/h23H,3-22H2,1-2H3/q-1.
What are the key properties of 3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one?
3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one has a molecular weight of 395.65 g/mol, XLogP of 6.53, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(nonyl)-1-oxido-1,3-diazocan-5-one is sourced from PubChem (CID 87908193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).