N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide

C22H30N4O2 — CID 4517496

IUPACN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide
SMILESO=C(CCCCCCC(=O)NN=C1CC2CC=CC12)NN=C1CC2CC=CC12
InChIInChI=1S/C22H30N4O2/c27-21(25-23-19-13-15-7-5-9-17(15)19)11-3-1-2-4-12-22(28)26-24-20-14-16-8-6-10-18(16)20/h5-6,9-10,15-18H,1-4,7-8,11-14H2,(H,25,27)(H,26,28)
InChIKeyYNNGUIAZNLPCCA-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.46
Rot. Bonds9

About N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide

N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide (PubChem CID 4517496) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide.

Molecular Properties

Compound NameN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide
PubChem CID4517496
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide
SMILESO=C(CCCCCCC(=O)NN=C1CC2CC=CC12)NN=C1CC2CC=CC12
InChIInChI=1S/C22H30N4O2/c27-21(25-23-19-13-15-7-5-9-17(15)19)11-3-1-2-4-12-22(28)26-24-20-14-16-8-6-10-18(16)20/h5-6,9-10,15-18H,1-4,7-8,11-14H2,(H,25,27)(H,26,28)
InChIKeyYNNGUIAZNLPCCA-UHFFFAOYSA-N
XLogP3.46
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'~1~,N'~7~-Dibicyclo[3.2.0]hept-3-EN-6-ylidenheptanedihydrazide
CID 9624837
N'~1~,N'~6~-Dibicyclo[3.2.0]hept-3-EN-6-ylidenhexanedihydrazide
CID 9670029
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide
CID 3298786
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)decanamide
CID 3349650
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide
CID 3361607
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide
CID 3455787
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide
CID 3456277
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide
CID 3536131
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide
CID 3724265
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)pentanediamide
CID 4155511
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide
CID 4182915
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)nonanamide
CID 4193660

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide?
The IUPAC name of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide (CID 4517496) is N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide.
What is the SMILES notation for N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide?
The canonical SMILES for N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide is O=C(CCCCCCC(=O)NN=C1CC2CC=CC12)NN=C1CC2CC=CC12.
What is the InChIKey of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide?
The InChIKey is YNNGUIAZNLPCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-21(25-23-19-13-15-7-5-9-17(15)19)11-3-1-2-4-12-22(28)26-24-20-14-16-8-6-10-18(16)20/h5-6,9-10,15-18H,1-4,7-8,11-14H2,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide?
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide has a molecular weight of 382.51 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)octanediamide is sourced from PubChem (CID 4517496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).