6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one

C14H27NO2 — CID 62037840

IUPAC6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one
SMILESCC(=O)CCCCN(CCO)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-13(17)7-5-6-10-15(11-12-16)14-8-3-2-4-9-14/h14,16H,2-12H2,1H3
InChIKeyKLNCYJQXCCCVCP-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.37
Rot. Bonds8

About 6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one

6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one (PubChem CID 62037840) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one.

Molecular Properties

Compound Name6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one
PubChem CID62037840
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one
SMILESCC(=O)CCCCN(CCO)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-13(17)7-5-6-10-15(11-12-16)14-8-3-2-4-9-14/h14,16H,2-12H2,1H3
InChIKeyKLNCYJQXCCCVCP-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one?
The IUPAC name of 6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one (CID 62037840) is 6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one.
What is the SMILES notation for 6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one?
The canonical SMILES for 6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one is CC(=O)CCCCN(CCO)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one?
The InChIKey is KLNCYJQXCCCVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(17)7-5-6-10-15(11-12-16)14-8-3-2-4-9-14/h14,16H,2-12H2,1H3.
What are the key properties of 6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one?
6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one has a molecular weight of 241.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(2-hydroxyethyl)amino]hexan-2-one is sourced from PubChem (CID 62037840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).