2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde

C9H17NO2 — CID 62035127

IUPAC2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde
SMILESO=CCN(CCO)C1CCCC1
InChIInChI=1S/C9H17NO2/c11-7-5-10(6-8-12)9-3-1-2-4-9/h7,9,12H,1-6,8H2
InChIKeyWCASNCVXGSIOJV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.42
Rot. Bonds5

About 2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde

2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde (PubChem CID 62035127) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde
PubChem CID62035127
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde
SMILESO=CCN(CCO)C1CCCC1
InChIInChI=1S/C9H17NO2/c11-7-5-10(6-8-12)9-3-1-2-4-9/h7,9,12H,1-6,8H2
InChIKeyWCASNCVXGSIOJV-UHFFFAOYSA-N
XLogP0.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[cyclopentyl(2-hydroxyethyl)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-hydroxyethyl)amino]acetaldehyde?
The IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde (CID 62035127) is 2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde.
What is the SMILES notation for 2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde?
The canonical SMILES for 2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde is O=CCN(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde?
The InChIKey is WCASNCVXGSIOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-7-5-10(6-8-12)9-3-1-2-4-9/h7,9,12H,1-6,8H2.
What are the key properties of 2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde?
2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde has a molecular weight of 171.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-hydroxyethyl)amino]acetaldehyde is sourced from PubChem (CID 62035127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).