2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide

C12H21N3O — CID 65249512

IUPAC2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CC(N)C1
InChIInChI=1S/C12H21N3O/c1-4-12(5-2,6-3)14-11(16)9-15-7-10(13)8-15/h1,10H,5-9,13H2,2-3H3,(H,14,16)
InChIKeyRKSOXBBNGKWMOX-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.06
Rot. Bonds5

About 2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide

2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide (PubChem CID 65249512) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
PubChem CID65249512
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CC(N)C1
InChIInChI=1S/C12H21N3O/c1-4-12(5-2,6-3)14-11(16)9-15-7-10(13)8-15/h1,10H,5-9,13H2,2-3H3,(H,14,16)
InChIKeyRKSOXBBNGKWMOX-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 81460905
N-(3-ethylpent-1-yn-3-yl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267637
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 63595882
N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102936046
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 114398610
N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81116179
2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine
CID 143903152
2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 64979190
1-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785252
N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788921
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
CID 63760908
2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide
CID 65249628

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide (CID 65249512) is 2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide is C#CC(CC)(CC)NC(=O)CN1CC(N)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
The InChIKey is RKSOXBBNGKWMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-12(5-2,6-3)14-11(16)9-15-7-10(13)8-15/h1,10H,5-9,13H2,2-3H3,(H,14,16).
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide?
2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide has a molecular weight of 223.32 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide is sourced from PubChem (CID 65249512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).