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

C13H25NO2 — CID 62043123

IUPAC1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one
SMILESCCCC(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-6-13(16)11-14(9-10-15)12-7-4-3-5-8-12/h12,15H,2-11H2,1H3
InChIKeyCBPCGYTYHQDOOZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.98
Rot. Bonds7

About 1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one

1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one (PubChem CID 62043123) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one.

Molecular Properties

Compound Name1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one
PubChem CID62043123
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one
SMILESCCCC(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-6-13(16)11-14(9-10-15)12-7-4-3-5-8-12/h12,15H,2-11H2,1H3
InChIKeyCBPCGYTYHQDOOZ-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 1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one?
The IUPAC name of 1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one (CID 62043123) is 1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one.
What is the SMILES notation for 1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one?
The canonical SMILES for 1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one is CCCC(=O)CN(CCO)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one?
The InChIKey is CBPCGYTYHQDOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-6-13(16)11-14(9-10-15)12-7-4-3-5-8-12/h12,15H,2-11H2,1H3.
What are the key properties of 1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one?
1-[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 1-[cyclohexyl(2-hydroxyethyl)amino]pentan-2-one is sourced from PubChem (CID 62043123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).