N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide

C12H22N2O — CID 5221684

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide
SMILESCCCCC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C12H22N2O/c1-2-3-4-12(15)13-11-9-14-7-5-10(11)6-8-14/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyIRFCFHAPPFKYJE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide

N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide (PubChem CID 5221684) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide
PubChem CID5221684
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide
SMILESCCCCC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C12H22N2O/c1-2-3-4-12(15)13-11-9-14-7-5-10(11)6-8-14/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyIRFCFHAPPFKYJE-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide (CID 5221684) is N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide is CCCCC(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide?
The InChIKey is IRFCFHAPPFKYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-4-12(15)13-11-9-14-7-5-10(11)6-8-14/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide has a molecular weight of 210.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide is sourced from PubChem (CID 5221684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).