2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde

C10H15NO — CID 171516429

IUPAC2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde
SMILESC#CN(C)C(C=O)C1CCCC1
InChIInChI=1S/C10H15NO/c1-3-11(2)10(8-12)9-6-4-5-7-9/h1,8-10H,4-7H2,2H3
InChIKeyQRAMMBSPRIRLCL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.27
Rot. Bonds3

About 2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde

2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde (PubChem CID 171516429) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde
PubChem CID171516429
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde
SMILESC#CN(C)C(C=O)C1CCCC1
InChIInChI=1S/C10H15NO/c1-3-11(2)10(8-12)9-6-4-5-7-9/h1,8-10H,4-7H2,2H3
InChIKeyQRAMMBSPRIRLCL-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde?
The IUPAC name of 2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde (CID 171516429) is 2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde.
What is the SMILES notation for 2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde?
The canonical SMILES for 2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde is C#CN(C)C(C=O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde?
The InChIKey is QRAMMBSPRIRLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-11(2)10(8-12)9-6-4-5-7-9/h1,8-10H,4-7H2,2H3.
What are the key properties of 2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde?
2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde has a molecular weight of 165.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[ethynyl(methyl)amino]acetaldehyde is sourced from PubChem (CID 171516429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).