2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide

C10H14N4O — CID 114777699

IUPAC2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide
SMILESCCn1ccnc1C#CCNC(=O)CN
InChIInChI=1S/C10H14N4O/c1-2-14-7-6-12-9(14)4-3-5-13-10(15)8-11/h6-7H,2,5,8,11H2,1H3,(H,13,15)
InChIKeyWMXUPQXRYLPQQF-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.67
Rot. Bonds3

About 2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide

2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide (PubChem CID 114777699) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide
PubChem CID114777699
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide
SMILESCCn1ccnc1C#CCNC(=O)CN
InChIInChI=1S/C10H14N4O/c1-2-14-7-6-12-9(14)4-3-5-13-10(15)8-11/h6-7H,2,5,8,11H2,1H3,(H,13,15)
InChIKeyWMXUPQXRYLPQQF-UHFFFAOYSA-N
XLogP-0.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(1-ethylimidazol-2-yl)hex-5-yn-1-amine
CID 106208737
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
4-(1-propylimidazol-2-yl)but-3-yn-1-ol
CID 63974123
6-(1-propylimidazol-2-yl)hex-5-yn-1-amine
CID 106208739
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
CID 131137829
3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide
CID 171869595
3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide
CID 62325743
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
1-ethylimidazole-2-sulfonic acid
CID 23092882
N-[3-(4-amino-7-ethylpyrrolo[2,3-d]pyrimidin-5-yl)prop-2-ynyl]-2-(2-hydroxyethoxy)acetamide
CID 164872339
2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide
CID 62139157

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide?
The IUPAC name of 2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide (CID 114777699) is 2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide is CCn1ccnc1C#CCNC(=O)CN.
What is the InChIKey of 2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide?
The InChIKey is WMXUPQXRYLPQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-14-7-6-12-9(14)4-3-5-13-10(15)8-11/h6-7H,2,5,8,11H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide?
2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide has a molecular weight of 206.25 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1-ethylimidazol-2-yl)prop-2-ynyl]acetamide is sourced from PubChem (CID 114777699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).