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

C18H30N2O — CID 4591733

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide
SMILESCCCCCCCCCC(=O)NN=CC1CC2C=CC1C2
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-18(21)20-19-14-17-13-15-10-11-16(17)12-15/h10-11,14-17H,2-9,12-13H2,1H3,(H,20,21)
InChIKeyPGTRTVAQGQRFLT-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.44
Rot. Bonds10

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

N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide (PubChem CID 4591733) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide
PubChem CID4591733
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide
SMILESCCCCCCCCCC(=O)NN=CC1CC2C=CC1C2
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-18(21)20-19-14-17-13-15-10-11-16(17)12-15/h10-11,14-17H,2-9,12-13H2,1H3,(H,20,21)
InChIKeyPGTRTVAQGQRFLT-UHFFFAOYSA-N
XLogP4.44
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.44
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)decanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide (CID 4591733) is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide is CCCCCCCCCC(=O)NN=CC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide?
The InChIKey is PGTRTVAQGQRFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-18(21)20-19-14-17-13-15-10-11-16(17)12-15/h10-11,14-17H,2-9,12-13H2,1H3,(H,20,21).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide has a molecular weight of 290.45 g/mol, XLogP of 4.44, 10 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)decanamide is sourced from PubChem (CID 4591733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).