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

C10H19N3O — CID 16794770

IUPAC3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide
SMILESNCCC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C10H19N3O/c11-4-1-10(14)12-9-7-13-5-2-8(9)3-6-13/h8-9H,1-7,11H2,(H,12,14)
InChIKeyDNZJCTILJRHBSS-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.45
Rot. Bonds3

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

3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide (PubChem CID 16794770) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide
PubChem CID16794770
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide
SMILESNCCC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C10H19N3O/c11-4-1-10(14)12-9-7-13-5-2-8(9)3-6-13/h8-9H,1-7,11H2,(H,12,14)
InChIKeyDNZJCTILJRHBSS-UHFFFAOYSA-N
XLogP-0.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide
CID 24703971
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide
CID 60687389
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240963
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55209645
N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)butanamide
CID 5024760
(2S)-2-amino-N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962152
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952725
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)cyclohexane-1-carboxamide
CID 54928054
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
CID 59129901
3-(aminomethyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18069977
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[2-(azepan-1-yl)-2-oxoethoxy]acetamide
CID 91948741

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide?
The IUPAC name of 3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide (CID 16794770) is 3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide.
What is the SMILES notation for 3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide?
The canonical SMILES for 3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide is NCCC(=O)NC1CN2CCC1CC2.
What is the InChIKey of 3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide?
The InChIKey is DNZJCTILJRHBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-4-1-10(14)12-9-7-13-5-2-8(9)3-6-13/h8-9H,1-7,11H2,(H,12,14).
What are the key properties of 3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide?
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide has a molecular weight of 197.28 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide is sourced from PubChem (CID 16794770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).