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

C11H21NO2 — CID 63039607

IUPAC3-[cyclohexyl(2-hydroxyethyl)amino]propanal
SMILESO=CCCN(CCO)C1CCCCC1
InChIInChI=1S/C11H21NO2/c13-9-4-7-12(8-10-14)11-5-2-1-3-6-11/h9,11,14H,1-8,10H2
InChIKeyZMIONXLEBSIZQE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.20
Rot. Bonds6

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

3-[cyclohexyl(2-hydroxyethyl)amino]propanal (PubChem CID 63039607) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[cyclohexyl(2-hydroxyethyl)amino]propanal.

Molecular Properties

Compound Name3-[cyclohexyl(2-hydroxyethyl)amino]propanal
PubChem CID63039607
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[cyclohexyl(2-hydroxyethyl)amino]propanal
SMILESO=CCCN(CCO)C1CCCCC1
InChIInChI=1S/C11H21NO2/c13-9-4-7-12(8-10-14)11-5-2-1-3-6-11/h9,11,14H,1-8,10H2
InChIKeyZMIONXLEBSIZQE-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.20
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-[cyclohexyl(2-hydroxyethyl)amino]propanal?
The IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)amino]propanal (CID 63039607) is 3-[cyclohexyl(2-hydroxyethyl)amino]propanal.
What is the SMILES notation for 3-[cyclohexyl(2-hydroxyethyl)amino]propanal?
The canonical SMILES for 3-[cyclohexyl(2-hydroxyethyl)amino]propanal is O=CCCN(CCO)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(2-hydroxyethyl)amino]propanal?
The InChIKey is ZMIONXLEBSIZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-9-4-7-12(8-10-14)11-5-2-1-3-6-11/h9,11,14H,1-8,10H2.
What are the key properties of 3-[cyclohexyl(2-hydroxyethyl)amino]propanal?
3-[cyclohexyl(2-hydroxyethyl)amino]propanal has a molecular weight of 199.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-hydroxyethyl)amino]propanal is sourced from PubChem (CID 63039607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).