2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide

C13H22N2O — CID 71792395

IUPAC2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide
SMILESCN(C)CC#CCNC(=O)CC1CCCC1
InChIInChI=1S/C13H22N2O/c1-15(2)10-6-5-9-14-13(16)11-12-7-3-4-8-12/h12H,3-4,7-11H2,1-2H3,(H,14,16)
InChIKeyZBZVHVZTCBWYFE-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.25
Rot. Bonds4

About 2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide

2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide (PubChem CID 71792395) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide
PubChem CID71792395
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide
SMILESCN(C)CC#CCNC(=O)CC1CCCC1
InChIInChI=1S/C13H22N2O/c1-15(2)10-6-5-9-14-13(16)11-12-7-3-4-8-12/h12H,3-4,7-11H2,1-2H3,(H,14,16)
InChIKeyZBZVHVZTCBWYFE-UHFFFAOYSA-N
XLogP1.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide (CID 71792395) is 2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide is CN(C)CC#CCNC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
The InChIKey is ZBZVHVZTCBWYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(2)10-6-5-9-14-13(16)11-12-7-3-4-8-12/h12H,3-4,7-11H2,1-2H3,(H,14,16).
What are the key properties of 2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(dimethylamino)but-2-ynyl]acetamide is sourced from PubChem (CID 71792395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).