2-(cyclooctylamino)acetaldehyde

C10H19NO — CID 54127694

IUPAC2-(cyclooctylamino)acetaldehyde
SMILESO=CCNC1CCCCCCC1
InChIInChI=1S/C10H19NO/c12-9-8-11-10-6-4-2-1-3-5-7-10/h9-11H,1-8H2
InChIKeyXJRMDAQHSGPJEE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.89
Rot. Bonds3

About 2-(cyclooctylamino)acetaldehyde

2-(cyclooctylamino)acetaldehyde (PubChem CID 54127694) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(cyclooctylamino)acetaldehyde.

Molecular Properties

Compound Name2-(cyclooctylamino)acetaldehyde
PubChem CID54127694
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(cyclooctylamino)acetaldehyde
SMILESO=CCNC1CCCCCCC1
InChIInChI=1S/C10H19NO/c12-9-8-11-10-6-4-2-1-3-5-7-10/h9-11H,1-8H2
InChIKeyXJRMDAQHSGPJEE-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclooctylamino)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-(cyclooctylamino)acetaldehyde?
The IUPAC name of 2-(cyclooctylamino)acetaldehyde (CID 54127694) is 2-(cyclooctylamino)acetaldehyde.
What is the SMILES notation for 2-(cyclooctylamino)acetaldehyde?
The canonical SMILES for 2-(cyclooctylamino)acetaldehyde is O=CCNC1CCCCCCC1.
What is the InChIKey of 2-(cyclooctylamino)acetaldehyde?
The InChIKey is XJRMDAQHSGPJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c12-9-8-11-10-6-4-2-1-3-5-7-10/h9-11H,1-8H2.
What are the key properties of 2-(cyclooctylamino)acetaldehyde?
2-(cyclooctylamino)acetaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)acetaldehyde is sourced from PubChem (CID 54127694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).