N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide

C17H28N2O — CID 4097851

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide
SMILESCCCCCCCCC(=O)NN=CC1CC2C=CC1C2
InChIInChI=1S/C17H28N2O/c1-2-3-4-5-6-7-8-17(20)19-18-13-16-12-14-9-10-15(16)11-14/h9-10,13-16H,2-8,11-12H2,1H3,(H,19,20)
InChIKeyNEENILZPMMYORI-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.05
Rot. Bonds9

About N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide

N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide (PubChem CID 4097851) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide
PubChem CID4097851
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide
SMILESCCCCCCCCC(=O)NN=CC1CC2C=CC1C2
InChIInChI=1S/C17H28N2O/c1-2-3-4-5-6-7-8-17(20)19-18-13-16-12-14-9-10-15(16)11-14/h9-10,13-16H,2-8,11-12H2,1H3,(H,19,20)
InChIKeyNEENILZPMMYORI-UHFFFAOYSA-N
XLogP4.05
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide (CID 4097851) is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide is CCCCCCCCC(=O)NN=CC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide?
The InChIKey is NEENILZPMMYORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-3-4-5-6-7-8-17(20)19-18-13-16-12-14-9-10-15(16)11-14/h9-10,13-16H,2-8,11-12H2,1H3,(H,19,20).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide has a molecular weight of 276.42 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide is sourced from PubChem (CID 4097851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).