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

C19H32N2O — CID 4146094

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=CC1CC2C=CC1C2
InChIInChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-19(22)21-20-15-18-14-16-11-12-17(18)13-16/h11-12,15-18H,2-10,13-14H2,1H3,(H,21,22)
InChIKeyHEDIAHVRAQITEO-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.83
Rot. Bonds11

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

N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide (PubChem CID 4146094) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide
PubChem CID4146094
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide
SMILESCCCCCCCCCCC(=O)NN=CC1CC2C=CC1C2
InChIInChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-19(22)21-20-15-18-14-16-11-12-17(18)13-16/h11-12,15-18H,2-10,13-14H2,1H3,(H,21,22)
InChIKeyHEDIAHVRAQITEO-UHFFFAOYSA-N
XLogP4.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.83
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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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide
CID 4197007
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-(propanoylamino)benzamide
CID 129440279
N-(cyclohexylmethylideneamino)nonanamide
CID 4285441
N-[(Z)-cyclohexylmethylideneamino]octanamide
CID 6069457
N-(cyclohexylmethylideneamino)dodecanamide
CID 5072532
bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride;hexadecanoyl chloride
CID 90067805
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]benzamide
CID 98153779
1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]hexan-1-one
CID 102272291
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide
CID 98462475
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide
CID 590348
5-(2-methylhex-1-enyl)bicyclo[2.2.1]hept-2-ene
CID 54568548
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 5454793

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide (CID 4146094) is N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide is CCCCCCCCCCC(=O)NN=CC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide?
The InChIKey is HEDIAHVRAQITEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-19(22)21-20-15-18-14-16-11-12-17(18)13-16/h11-12,15-18H,2-10,13-14H2,1H3,(H,21,22).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)undecanamide has a molecular weight of 304.48 g/mol, XLogP of 4.83, 11 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)undecanamide is sourced from PubChem (CID 4146094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).