2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide

C13H21N3O — CID 79615389

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide
SMILESCC(C#N)CNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C13H21N3O/c1-9(7-14)8-15-13(17)6-10-4-11-2-3-12(5-10)16-11/h9-12,16H,2-6,8H2,1H3,(H,15,17)
InChIKeyFOAYKHHUPBSXKF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.18
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide (PubChem CID 79615389) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide
PubChem CID79615389
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide
SMILESCC(C#N)CNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C13H21N3O/c1-9(7-14)8-15-13(17)6-10-4-11-2-3-12(5-10)16-11/h9-12,16H,2-6,8H2,1H3,(H,15,17)
InChIKeyFOAYKHHUPBSXKF-UHFFFAOYSA-N
XLogP1.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 79607693
N-(2-cyanopropyl)-2-(thian-4-yl)acetamide
CID 80709073
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methoxy-3-methylbutyl)acetamide
CID 119813455
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide
CID 106175674
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
CID 79606940
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide
CID 119734644
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride
CID 119768757
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850513
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)propyl]acetamide;hydrochloride
CID 119804484
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide
CID 115740886
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119804648

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide (CID 79615389) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide is CC(C#N)CNC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide?
The InChIKey is FOAYKHHUPBSXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(7-14)8-15-13(17)6-10-4-11-2-3-12(5-10)16-11/h9-12,16H,2-6,8H2,1H3,(H,15,17).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-cyanopropyl)acetamide is sourced from PubChem (CID 79615389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).