N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide

C12H21N3O — CID 60687389

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)NC1CN2CCC1CC2
InChIInChI=1S/C12H21N3O/c16-12(7-13-10-1-2-10)14-11-8-15-5-3-9(11)4-6-15/h9-11,13H,1-8H2,(H,14,16)
InChIKeyHJHUOVGAKVHBBR-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.05
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide (PubChem CID 60687389) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide
PubChem CID60687389
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)NC1CN2CCC1CC2
InChIInChI=1S/C12H21N3O/c16-12(7-13-10-1-2-10)14-11-8-15-5-3-9(11)4-6-15/h9-11,13H,1-8H2,(H,14,16)
InChIKeyHJHUOVGAKVHBBR-UHFFFAOYSA-N
XLogP-0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide
CID 16794770
(2S)-2-amino-N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962152
N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 91948672
7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide
CID 24703971
N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91948762
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide
CID 60690885
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2-cyanoethyl)acetamide
CID 43180244
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952724
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952725
2-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]prop-2-enoic acid
CID 103235388
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)-2-phenoxyacetamide
CID 5092006

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide (CID 60687389) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide is O=C(CNC1CC1)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide?
The InChIKey is HJHUOVGAKVHBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-12(7-13-10-1-2-10)14-11-8-15-5-3-9(11)4-6-15/h9-11,13H,1-8H2,(H,14,16).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide has a molecular weight of 223.32 g/mol, XLogP of -0.05, 4 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-(cyclopropylamino)acetamide is sourced from PubChem (CID 60687389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).