2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone

C10H16N2O — CID 130701739

IUPAC2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone
SMILESNCC(=O)N1CC2C3CCC(C3)C21
InChIInChI=1S/C10H16N2O/c11-4-9(13)12-5-8-6-1-2-7(3-6)10(8)12/h6-8,10H,1-5,11H2
InChIKeyNKWJJUGTFCGRQU-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.20
Rot. Bonds1

About 2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone

2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone (PubChem CID 130701739) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone
PubChem CID130701739
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone
SMILESNCC(=O)N1CC2C3CCC(C3)C21
InChIInChI=1S/C10H16N2O/c11-4-9(13)12-5-8-6-1-2-7(3-6)10(8)12/h6-8,10H,1-5,11H2
InChIKeyNKWJJUGTFCGRQU-UHFFFAOYSA-N
XLogP0.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
CID 129461084
N-[(2S)-1-[(1S,2S,5S,6S)-3-azatricyclo[4.2.1.02,5]nonan-3-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide
CID 124856764
2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone
CID 129498097
2-amino-1-(2-methylazetidin-1-yl)ethanone
CID 67101715
3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane
CID 130736615
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
[2-(aminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119633284
2-amino-1-[(2R,3S,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]ethanone
CID 56917826
1-[(2R,6S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]propan-2-one
CID 131175637
2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone
CID 130932525

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone?
The IUPAC name of 2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone (CID 130701739) is 2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone is NCC(=O)N1CC2C3CCC(C3)C21.
What is the InChIKey of 2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone?
The InChIKey is NKWJJUGTFCGRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-4-9(13)12-5-8-6-1-2-7(3-6)10(8)12/h6-8,10H,1-5,11H2.
What are the key properties of 2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone?
2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone has a molecular weight of 180.25 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone is sourced from PubChem (CID 130701739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).