2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide

C12H21N3O — CID 79005108

IUPAC2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CC(N)C1)C1=CCCC1
InChIInChI=1S/C12H21N3O/c1-2-15(11-5-3-4-6-11)12(16)9-14-7-10(13)8-14/h5,10H,2-4,6-9,13H2,1H3
InChIKeyOOPIHOAOFSLUNW-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.55
Rot. Bonds4

About 2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide

2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide (PubChem CID 79005108) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
PubChem CID79005108
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CC(N)C1)C1=CCCC1
InChIInChI=1S/C12H21N3O/c1-2-15(11-5-3-4-6-11)12(16)9-14-7-10(13)8-14/h5,10H,2-4,6-9,13H2,1H3
InChIKeyOOPIHOAOFSLUNW-UHFFFAOYSA-N
XLogP0.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79994189
2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 79994225
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 115302497
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 78955983
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60969833
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 61235935
N-(cyclopenten-1-yl)-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide
CID 78967888
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 102682604
N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975890
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 115315425
N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
CID 107407836
2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 81223051

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide (CID 79005108) is 2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide is CCN(C(=O)CN1CC(N)C1)C1=CCCC1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide?
The InChIKey is OOPIHOAOFSLUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15(11-5-3-4-6-11)12(16)9-14-7-10(13)8-14/h5,10H,2-4,6-9,13H2,1H3.
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide?
2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide has a molecular weight of 223.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide is sourced from PubChem (CID 79005108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).