N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide

C10H19N3O — CID 19097783

IUPACN-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide
SMILESCCC(=O)NC1C2CCN(CC2)C1N
InChIInChI=1S/C10H19N3O/c1-2-8(14)12-9-7-3-5-13(6-4-7)10(9)11/h7,9-10H,2-6,11H2,1H3,(H,12,14)
InChIKeyNCWFEAUHOZYDBW-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.11
Rot. Bonds2

About N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide

N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide (PubChem CID 19097783) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide
PubChem CID19097783
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide
SMILESCCC(=O)NC1C2CCN(CC2)C1N
InChIInChI=1S/C10H19N3O/c1-2-8(14)12-9-7-3-5-13(6-4-7)10(9)11/h7,9-10H,2-6,11H2,1H3,(H,12,14)
InChIKeyNCWFEAUHOZYDBW-UHFFFAOYSA-N
XLogP-0.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 53506473
1-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 11943302
N-1-Azabicyclo[2.2.2]oct-3-ylacetamide
CID 5149592
1-methyl-1-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-3-[(3R)-piperidin-3-yl]urea
CID 128829379
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylpropanamide
CID 952722
3-Methyl-8-acetaminoquinuclidine
CID 129796608
2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797837
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570046
1-(2,5-Diazabicyclo[2.2.2]octan-2-yl)-2-fluoro-2-methylpropan-1-one
CID 130698497
2-methyl-N-(1'-methyl-1,4'-bipiperidin-3-yl)propanamide
CID 45169762
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952724
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetamide
CID 952691

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide?
The IUPAC name of N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide (CID 19097783) is N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide.
What is the SMILES notation for N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide?
The canonical SMILES for N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide is CCC(=O)NC1C2CCN(CC2)C1N.
What is the InChIKey of N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide?
The InChIKey is NCWFEAUHOZYDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-8(14)12-9-7-3-5-13(6-4-7)10(9)11/h7,9-10H,2-6,11H2,1H3,(H,12,14).
What are the key properties of N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide?
N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide has a molecular weight of 197.28 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-azabicyclo[2.2.2]octan-3-yl)propanamide is sourced from PubChem (CID 19097783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).