N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide

C18H32N2O — CID 4197007

IUPACN-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide
SMILESCCCCCCCCCC(=O)NN=CC1CC2CCC1C2
InChIInChI=1S/C18H32N2O/c1-2-3-4-5-6-7-8-9-18(21)20-19-14-17-13-15-10-11-16(17)12-15/h14-17H,2-13H2,1H3,(H,20,21)
InChIKeyLRAJOQJACXLHLI-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.67
Rot. Bonds10

About N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide

N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide (PubChem CID 4197007) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide
PubChem CID4197007
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide
SMILESCCCCCCCCCC(=O)NN=CC1CC2CCC1C2
InChIInChI=1S/C18H32N2O/c1-2-3-4-5-6-7-8-9-18(21)20-19-14-17-13-15-10-11-16(17)12-15/h14-17H,2-13H2,1H3,(H,20,21)
InChIKeyLRAJOQJACXLHLI-UHFFFAOYSA-N
XLogP4.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.67
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide
CID 100806176
N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide
CID 3645839
N-(cyclohexylmethylideneamino)nonanamide
CID 4285441
N-[(Z)-cyclohexylmethylideneamino]octanamide
CID 6069457
N-(cyclohexylmethylideneamino)dodecanamide
CID 5072532
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide
CID 4146094
N,N'-bis[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-(3-methylbutyl)propanediamide
CID 98275412
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]cyclohexanecarboxamide
CID 51028154
N-(nonylideneamino)decanamide
CID 5084396
N-(nonylideneamino)octanamide
CID 4295690
N-(butylideneamino)heptanamide
CID 4641242
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide
CID 7438142

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide (CID 4197007) is N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide is CCCCCCCCCC(=O)NN=CC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide?
The InChIKey is LRAJOQJACXLHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-3-4-5-6-7-8-9-18(21)20-19-14-17-13-15-10-11-16(17)12-15/h14-17H,2-13H2,1H3,(H,20,21).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide?
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide has a molecular weight of 292.47 g/mol, XLogP of 4.67, 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]heptanylmethylideneamino)decanamide is sourced from PubChem (CID 4197007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).