4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one

C12H23NO2 — CID 62035128

IUPAC4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one
SMILESCC(=O)CCN(CCO)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-11(15)7-8-13(9-10-14)12-5-3-2-4-6-12/h12,14H,2-10H2,1H3
InChIKeyQHLYBUMGTLPQHM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.59
Rot. Bonds6

About 4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one

4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one (PubChem CID 62035128) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one
PubChem CID62035128
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one
SMILESCC(=O)CCN(CCO)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-11(15)7-8-13(9-10-14)12-5-3-2-4-6-12/h12,14H,2-10H2,1H3
InChIKeyQHLYBUMGTLPQHM-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one?
The IUPAC name of 4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one (CID 62035128) is 4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one.
What is the SMILES notation for 4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one?
The canonical SMILES for 4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one is CC(=O)CCN(CCO)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one?
The InChIKey is QHLYBUMGTLPQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(15)7-8-13(9-10-14)12-5-3-2-4-6-12/h12,14H,2-10H2,1H3.
What are the key properties of 4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one?
4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(2-hydroxyethyl)amino]butan-2-one is sourced from PubChem (CID 62035128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).