3-[cyclopentyl(2-hydroxyethyl)amino]propanal

C10H19NO2 — CID 63039416

IUPAC3-[cyclopentyl(2-hydroxyethyl)amino]propanal
SMILESO=CCCN(CCO)C1CCCC1
InChIInChI=1S/C10H19NO2/c12-8-3-6-11(7-9-13)10-4-1-2-5-10/h8,10,13H,1-7,9H2
InChIKeyBSZKQSCUCMEGDB-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.81
Rot. Bonds6

About 3-[cyclopentyl(2-hydroxyethyl)amino]propanal

3-[cyclopentyl(2-hydroxyethyl)amino]propanal (PubChem CID 63039416) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[cyclopentyl(2-hydroxyethyl)amino]propanal.

Molecular Properties

Compound Name3-[cyclopentyl(2-hydroxyethyl)amino]propanal
PubChem CID63039416
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[cyclopentyl(2-hydroxyethyl)amino]propanal
SMILESO=CCCN(CCO)C1CCCC1
InChIInChI=1S/C10H19NO2/c12-8-3-6-11(7-9-13)10-4-1-2-5-10/h8,10,13H,1-7,9H2
InChIKeyBSZKQSCUCMEGDB-UHFFFAOYSA-N
XLogP0.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]propanal?
The IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]propanal (CID 63039416) is 3-[cyclopentyl(2-hydroxyethyl)amino]propanal.
What is the SMILES notation for 3-[cyclopentyl(2-hydroxyethyl)amino]propanal?
The canonical SMILES for 3-[cyclopentyl(2-hydroxyethyl)amino]propanal is O=CCCN(CCO)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(2-hydroxyethyl)amino]propanal?
The InChIKey is BSZKQSCUCMEGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-8-3-6-11(7-9-13)10-4-1-2-5-10/h8,10,13H,1-7,9H2.
What are the key properties of 3-[cyclopentyl(2-hydroxyethyl)amino]propanal?
3-[cyclopentyl(2-hydroxyethyl)amino]propanal has a molecular weight of 185.27 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(2-hydroxyethyl)amino]propanal is sourced from PubChem (CID 63039416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).