N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide

C10H18N2O2 — CID 15663616

IUPACN-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESCON(C)C(=O)C12CCCN(CC1)C2
InChIInChI=1S/C10H18N2O2/c1-11(14-2)9(13)10-4-3-6-12(8-10)7-5-10/h3-8H2,1-2H3
InChIKeyXUVHGNJTQLATHM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.49
Rot. Bonds2

About N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide

N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide (PubChem CID 15663616) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide
PubChem CID15663616
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESCON(C)C(=O)C12CCCN(CC1)C2
InChIInChI=1S/C10H18N2O2/c1-11(14-2)9(13)10-4-3-6-12(8-10)7-5-10/h3-8H2,1-2H3
InChIKeyXUVHGNJTQLATHM-UHFFFAOYSA-N
XLogP0.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 15663618
(E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine
CID 10726128
(5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide
CID 123198252
N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 10583285
N-methoxy-N-methylbicyclo[2.2.2]octane-1-carboxamide
CID 130361058
1-(1-azabicyclo[2.2.1]heptan-4-yl)ethanone
CID 10678310
1-azabicyclo[2.2.1]heptane-4-carboxylic acid
CID 21202810
tert-butyl 4-[methoxy(methyl)carbamoyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 169066755
1-amino-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 65464735
methyl 2-(1-azabicyclo[3.2.1]octan-5-yl)acetate
CID 19374778
N-methoxy-N,1-dimethylcycloprop-2-ene-1-carboxamide
CID 89246188
1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine
CID 54262319

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide?
The IUPAC name of N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide (CID 15663616) is N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide is CON(C)C(=O)C12CCCN(CC1)C2.
What is the InChIKey of N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide?
The InChIKey is XUVHGNJTQLATHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11(14-2)9(13)10-4-3-6-12(8-10)7-5-10/h3-8H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide?
N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide is sourced from PubChem (CID 15663616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).