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

C13H25N2O+ — CID 59019150

IUPACN-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide
SMILESCCCCC(=O)NC1C[N+]2(C)CCC1CC2
InChIInChI=1S/C13H24N2O/c1-3-4-5-13(16)14-12-10-15(2)8-6-11(12)7-9-15/h11-12H,3-10H2,1-2H3/p+1
InChIKeyZMYPNLMZZZBPFX-UHFFFAOYSA-O
MW225.36 g/mol
LogP1.53
Rot. Bonds4

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

N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide (PubChem CID 59019150) has the molecular formula C13H25N2O+ and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide.

Molecular Properties

Compound NameN-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide
PubChem CID59019150
Molecular FormulaC13H25N2O+
Molecular Weight225.36 g/mol
Exact Mass225.20
IUPAC NameN-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide
SMILESCCCCC(=O)NC1C[N+]2(C)CCC1CC2
InChIInChI=1S/C13H24N2O/c1-3-4-5-13(16)14-12-10-15(2)8-6-11(12)7-9-15/h11-12H,3-10H2,1-2H3/p+1
InChIKeyZMYPNLMZZZBPFX-UHFFFAOYSA-O
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-[2-(bromomethyl)cyclohexyl]pentanamide
CID 106367298
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(butanoylamino)cyclopropyl]butanamide
CID 123475360
N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide
CID 156890356
N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
CID 158939000
N-(2-chlorocyclopentyl)nonanamide
CID 106443674
N-(2-chlorocyclopentyl)dodecanamide
CID 106444076
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-(2-bromocyclohexyl)heptanamide
CID 114754026
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-(2-methyloxolan-3-yl)decanamide
CID 146252174

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide?
The IUPAC name of N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide (CID 59019150) is N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide.
What is the SMILES notation for N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide?
The canonical SMILES for N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide is CCCCC(=O)NC1C[N+]2(C)CCC1CC2.
What is the InChIKey of N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide?
The InChIKey is ZMYPNLMZZZBPFX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H24N2O/c1-3-4-5-13(16)14-12-10-15(2)8-6-11(12)7-9-15/h11-12H,3-10H2,1-2H3/p+1.
What are the key properties of N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide?
N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide has a molecular weight of 225.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide is sourced from PubChem (CID 59019150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).