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

C21H28N4O2 — CID 3536131

IUPACN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide
SMILESO=C(CCCCCC(=O)NN=C1CC2CC=CC12)NN=C1CC2CC=CC12
InChIInChI=1S/C21H28N4O2/c26-20(24-22-18-12-14-6-4-8-16(14)18)10-2-1-3-11-21(27)25-23-19-13-15-7-5-9-17(15)19/h4-5,8-9,14-17H,1-3,6-7,10-13H2,(H,24,26)(H,25,27)
InChIKeySXKAAWNQVZBUID-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.07
Rot. Bonds8

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

N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide (PubChem CID 3536131) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide.

Molecular Properties

Compound NameN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide
PubChem CID3536131
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide
SMILESO=C(CCCCCC(=O)NN=C1CC2CC=CC12)NN=C1CC2CC=CC12
InChIInChI=1S/C21H28N4O2/c26-20(24-22-18-12-14-6-4-8-16(14)18)10-2-1-3-11-21(27)25-23-19-13-15-7-5-9-17(15)19/h4-5,8-9,14-17H,1-3,6-7,10-13H2,(H,24,26)(H,25,27)
InChIKeySXKAAWNQVZBUID-UHFFFAOYSA-N
XLogP3.07
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.07
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-(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
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)hexanediamide
CID 4421725

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide?
The IUPAC name of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide (CID 3536131) is N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide.
What is the SMILES notation for N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide?
The canonical SMILES for N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide is O=C(CCCCCC(=O)NN=C1CC2CC=CC12)NN=C1CC2CC=CC12.
What is the InChIKey of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide?
The InChIKey is SXKAAWNQVZBUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(24-22-18-12-14-6-4-8-16(14)18)10-2-1-3-11-21(27)25-23-19-13-15-7-5-9-17(15)19/h4-5,8-9,14-17H,1-3,6-7,10-13H2,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide?
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide has a molecular weight of 368.48 g/mol, XLogP of 3.07, 8 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)heptanediamide is sourced from PubChem (CID 3536131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).