5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one

C13H25NO2 — CID 62037841

IUPAC5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one
SMILESCC(=O)CCCN(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(16)6-5-9-14(10-11-15)13-7-3-2-4-8-13/h13,15H,2-11H2,1H3
InChIKeySQABPEABHKONCO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.98
Rot. Bonds7

About 5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one

5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one (PubChem CID 62037841) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one.

Molecular Properties

Compound Name5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one
PubChem CID62037841
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one
SMILESCC(=O)CCCN(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(16)6-5-9-14(10-11-15)13-7-3-2-4-8-13/h13,15H,2-11H2,1H3
InChIKeySQABPEABHKONCO-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one?
The IUPAC name of 5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one (CID 62037841) is 5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one.
What is the SMILES notation for 5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one?
The canonical SMILES for 5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one is CC(=O)CCCN(CCO)C1CCCCC1.
What is the InChIKey of 5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one?
The InChIKey is SQABPEABHKONCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(16)6-5-9-14(10-11-15)13-7-3-2-4-8-13/h13,15H,2-11H2,1H3.
What are the key properties of 5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one?
5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one has a molecular weight of 227.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one is sourced from PubChem (CID 62037841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).