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

C11H21N3O — CID 62637094

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C11H21N3O/c1-8(12-2)11(15)13-10-7-14-5-3-9(10)4-6-14/h8-10,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyISYKYFMMRVFXND-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.20
Rot. Bonds3

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide (PubChem CID 62637094) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide
PubChem CID62637094
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C11H21N3O/c1-8(12-2)11(15)13-10-7-14-5-3-9(10)4-6-14/h8-10,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyISYKYFMMRVFXND-UHFFFAOYSA-N
XLogP-0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpentanamide
CID 61173160
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-propan-2-ylpropanamide
CID 43084857
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925170
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952725
2-[1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682817
2-[1-azabicyclo[2.2.2]octan-3-ylcarbamoyl(methyl)amino]propanoic acid
CID 62639370
(2S)-2-(methylamino)-N-(2-methylcyclopropyl)propanamide
CID 126982180
N-(1-acetylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62639484
(2S)-2-amino-N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962152
N-cyclopentyl-2-(methylamino)propanamide
CID 43083499
N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086
(2S)-N-cyclopentyl-2-(methylamino)propanamide
CID 28827015

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide (CID 62637094) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide is CNC(C)C(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide?
The InChIKey is ISYKYFMMRVFXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(12-2)11(15)13-10-7-14-5-3-9(10)4-6-14/h8-10,12H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide has a molecular weight of 211.31 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 62637094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).