N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide

C13H22N2O — CID 119459100

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide
SMILESC=CCCCC(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-13(16)15-12-8-10-6-7-11(9-12)14-10/h2,10-12,14H,1,3-9H2,(H,15,16)
InChIKeyOZSOBXPMVDSCEL-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.74
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide

N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide (PubChem CID 119459100) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide
PubChem CID119459100
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide
SMILESC=CCCCC(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-13(16)15-12-8-10-6-7-11(9-12)14-10/h2,10-12,14H,1,3-9H2,(H,15,16)
InChIKeyOZSOBXPMVDSCEL-UHFFFAOYSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride
CID 119456671
N-(4-aminocyclohexyl)hex-5-enamide
CID 119478568
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxypropanamide
CID 62589135
N-(3-aminocyclobutyl)pent-4-enamide
CID 62677212
N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride
CID 119458518
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805909
N-piperidin-4-ylpent-4-enamide
CID 62679298
1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
CID 171937877
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclopentylsulfonylpropanamide
CID 119458802
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
CID 119457462

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide (CID 119459100) is N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide is C=CCCCC(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide?
The InChIKey is OZSOBXPMVDSCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-4-5-13(16)15-12-8-10-6-7-11(9-12)14-10/h2,10-12,14H,1,3-9H2,(H,15,16).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide has a molecular weight of 222.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide is sourced from PubChem (CID 119459100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).